data_2yul_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 2yul _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.424 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.5 mtm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.755 0.312 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 16' ' ' MET . 0.6 OUTLIER -100.09 -177.22 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.28 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.3 -48.55 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.424 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 70.4 mtp -54.99 -55.24 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.1 t -50.13 -70.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.2 t90 -43.2 -34.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.56 -43.04 63.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -34.73 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' ALA . 28.8 t70 -91.77 -41.46 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -66.34 -56.8 9.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -38.16 -48.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -44.81 -46.59 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 6.5 ptt85 -63.66 -32.64 74.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.2 mt -70.19 -43.51 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.54 -49.83 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.4 pt20 -67.33 -34.98 78.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.3 mt-30 -71.46 -34.06 69.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -131.7 83.96 56.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.55 18.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.1 -15.83 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.1 155.88 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' ASN . 15.1 p80 -118.19 170.02 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.2 m-20 -34.48 -69.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -34.29 -38.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.6 mm-40 -79.07 -43.9 23.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -59.26 -49.98 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.35 -56.48 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 mmtt -35.15 -33.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -90.35 -38.04 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.5 mt -63.72 -27.23 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.34 -54.19 4.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.11 -37.5 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 m -77.43 -29.07 52.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.407 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.7 t-105 -73.4 -69.58 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -42.62 -33.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.69 91.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD13 ' NE1' ' A' ' 18' ' ' TRP . 64.1 mt -49.39 159.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 p -105.95 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.432 HD13 ' CD ' ' A' ' 55' ' ' ARG . 2.4 tm? -52.71 -59.15 4.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.77 -32.46 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -74.98 -35.17 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 58' ' ' VAL . 41.2 mttp -86.48 -8.65 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.654 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.1 tpt180 -55.38 -51.01 83.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -28.82 24.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.445 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 37.2 m-85 -94.72 -8.15 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.535 ' N ' ' O ' ' A' ' 54' ' ' LYS . 11.6 t -95.78 -34.84 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.1 -9.67 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -94.83 -51.55 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.09 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.65 -31.26 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.754 0.312 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.433 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -91.88 -177.02 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.16 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.68 -47.53 66.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.433 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 36.5 mmm -57.98 -53.92 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -50.73 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 2.2 t90 -53.92 -25.38 20.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.69 -35.31 33.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -40.79 -34.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.451 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 t70 -92.22 -48.68 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -56.4 -58.05 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ttm105 -39.26 -46.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -45.66 -47.33 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.9 ptm180 -63.63 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 42' ' ' LEU . 29.5 mt -69.18 -44.3 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.88 -50.31 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.2 pt20 -66.26 -34.92 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 21.8 mt-30 -73.05 -32.23 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -133.02 82.89 53.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.74 14.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -108.52 -18.2 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.9 mt -85.86 156.0 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' CE1' ' HB1' ' A' ' 36' ' ' ALA . 9.1 p80 -118.55 170.99 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 38' ' ' LEU . 25.9 m120 -33.51 -71.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.522 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -34.06 -40.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' HIS . 25.6 mm-40 -76.87 -43.0 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.1 mt -60.23 -47.98 83.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.06 -55.25 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.6 mmtt -36.74 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.3 mtt -93.66 -35.02 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.0 mt -66.92 -26.7 66.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.38 -54.12 4.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -53.64 -37.29 62.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 m -76.8 -29.73 56.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 61.5 t-105 -68.03 -69.65 0.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -44.83 -34.23 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.36 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 18' ' ' TRP . 67.9 mt -55.59 154.06 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.4 p -101.8 164.97 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -46.19 -56.3 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.0 -32.26 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.405 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.1 mm-40 -76.84 -31.4 56.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 58' ' ' VAL . 33.3 mtpt -86.97 -9.26 56.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 3.7 tpt180 -55.74 -50.61 86.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.73 -29.13 24.5 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.0 m-85 -94.31 -9.35 36.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 54' ' ' LYS . 12.7 t -94.8 -35.13 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.85 -14.09 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.91 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.413 ' HB1' ' C ' ' A' ' 13' ' ' ASN . . . -49.51 -39.97 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.75 -47.87 83.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' C ' ' HB1' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -95.97 -175.18 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.98 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -73.0 -48.76 33.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.406 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 41.4 mtp -57.95 -49.38 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.28 -66.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.57 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 t90 -47.54 -35.5 9.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -70.67 -39.21 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -36.02 -35.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 34.9 t0 -88.84 -43.61 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -62.49 -57.62 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLU . 53.5 ttt-85 -38.06 -46.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -45.01 -48.0 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -66.74 -28.8 68.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 29.1 mt -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.57 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.3 pt20 -65.75 -37.12 85.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.9 mt-30 -69.93 -32.24 70.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -134.02 83.44 45.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -6.7 19.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.758 2.305 . . . . 0.0 112.341 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -106.88 -16.84 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.4 mt -86.71 154.39 21.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 35' ' ' ASN . 13.3 p80 -116.54 170.63 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.4 t30 -34.55 -70.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -34.27 -38.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.9 mm-40 -79.07 -43.08 24.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.8 mt -59.03 -47.6 84.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.12 -53.88 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -38.44 -31.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtm -93.65 -32.08 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.9 mt -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.15 -46.9 6.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.04 -28.11 43.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 71.1 t-105 -72.69 -69.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -40.89 -30.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.03 -50.69 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.414 HD11 ' NE1' ' A' ' 18' ' ' TRP . 98.3 mt -42.64 155.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -107.83 170.23 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -46.07 -59.53 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.76 -30.84 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -77.92 -35.19 50.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 58' ' ' VAL . 26.2 mttp -85.27 -9.7 57.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 2.0 tpt180 -55.03 -50.53 85.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.705 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.67 -32.2 19.44 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.6 m-85 -90.07 -12.05 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 54' ' ' LYS . 16.0 t -92.49 -36.93 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.88 -16.76 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.76 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.413 ' HB1' ' C ' ' A' ' 13' ' ' ASN . . . -38.79 -56.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -43.72 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.758 0.313 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' C ' ' HB3' ' A' ' 61' ' ' ALA . 1.8 p30 -95.92 -174.51 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.31 76.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -59.97 -52.46 65.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.8 mmm -54.72 -60.13 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 HG23 ' CB ' ' A' ' 61' ' ' ALA . 60.4 t -42.21 -69.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 4.3 t90 -47.74 -32.7 6.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.27 -35.11 68.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -41.54 -28.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.06 -51.39 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 1.8 mp0 -58.07 -56.82 17.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -38.23 -44.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -48.29 -46.66 36.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.4 ptm180 -66.66 -33.2 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 28.0 mt -66.08 -44.6 84.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -51.14 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.29 -35.25 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -129.58 82.51 67.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -5.03 15.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -108.96 -17.85 13.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 ' CG ' ' A' ' 37' ' ' GLU . 52.1 mt -85.47 160.85 19.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.429 ' CE1' ' CB ' ' A' ' 36' ' ' ALA . 9.7 p80 -121.1 170.73 9.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 14.4 t-20 -35.55 -66.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' CB ' ' CE1' ' A' ' 34' ' ' HIS . . . -38.31 -38.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.466 ' CG ' HD22 ' A' ' 33' ' ' LEU . 37.8 mm-40 -78.78 -42.31 28.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 16.5 mt -58.96 -48.71 80.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.18 -54.47 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.5 mmtm -36.96 -30.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.5 mtm -93.91 -34.91 12.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' SER . 81.8 mt -67.66 -24.81 65.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.08 -50.98 6.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -56.05 -35.67 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.312 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -78.87 -28.92 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -68.07 -69.52 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -44.24 -38.04 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.96 83.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.4 mt -53.44 152.62 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.2 p -99.28 166.43 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.37 -54.2 14.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.08 -32.35 46.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mm-40 -75.26 -32.92 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 58' ' ' VAL . 31.4 mttt -84.79 -10.39 57.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.8 tpt180 -55.79 -50.69 85.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.71 -29.05 24.72 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.499 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 33.1 m-85 -94.06 -9.86 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 54' ' ' LYS . 14.8 t -95.0 -34.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -80.69 -11.68 59.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.64 -51.99 4.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -58.07 -32.21 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -59.46 -40.0 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.83 177.31 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.07 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 3.3 t80 -68.34 -39.47 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmm -66.93 -55.38 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.3 t -48.52 -62.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 4.9 t90 -52.11 -31.51 31.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.79 -41.28 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.6 ptmm? -34.33 -35.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.459 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 24.5 t0 -92.51 -44.28 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -61.83 -58.68 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.2 ttp85 -41.07 -49.03 3.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -39.8 -44.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 5.6 ptt85 -70.56 -33.1 70.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' ARG . 21.1 mt -67.16 -46.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.33 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -60.68 -35.87 77.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.8 mt-30 -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.413 ' CG ' HD13 ' A' ' 33' ' ' LEU . 70.5 m-80 -130.56 82.58 64.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.674 0.75 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -6.32 18.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.258 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -107.22 -19.32 13.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.413 HD13 ' CG ' ' A' ' 30' ' ' ASN . 49.3 mt -84.46 155.32 22.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.489 ' CE1' ' HB1' ' A' ' 36' ' ' ALA . 10.1 p80 -118.12 171.39 8.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 50.7 m-20 -33.63 -70.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -34.21 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.4 mm-40 -77.82 -42.65 33.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -60.77 -50.39 73.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.4 -54.99 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.4 mmtm -35.37 -32.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.3 mtt -93.82 -36.94 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.7 mt -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.01 -57.38 4.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -50.51 -36.02 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -79.0 -32.02 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.521 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 68.2 t-105 -69.83 -68.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -45.03 -32.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.0 93.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD11 ' NE1' ' A' ' 18' ' ' TRP . 70.8 mt -58.28 150.51 21.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -100.14 167.03 10.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -45.45 -50.64 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -27.47 56.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' CD ' HD21 ' A' ' 49' ' ' LEU . 16.7 mt-10 -82.22 -34.62 28.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 58' ' ' VAL . 27.9 mtpt -87.71 -8.79 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.656 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.6 tpt180 -54.74 -50.86 83.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -30.97 21.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -92.04 -9.22 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 54' ' ' LYS . 14.2 t -95.19 -34.45 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.83 -12.29 60.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -94.07 -54.82 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -37.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -59.83 -40.92 90.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.2 mtm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 1.7 p30 -97.06 -174.52 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.32 -45.02 84.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.82 -51.47 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.2 mmm -55.55 -58.09 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.68 -69.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.0 t90 -45.17 -32.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -74.53 -36.27 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.0 ptmm? -36.44 -34.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 19' ' ' ALA . 36.5 t0 -93.02 -41.27 10.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.559 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -64.02 -58.02 7.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' GLU . 21.3 ttm180 -38.05 -51.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -44.55 -44.53 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.7 ptt85 -64.27 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 42' ' ' LEU . 25.9 mt -70.95 -45.11 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.8 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.3 pt20 -65.07 -34.44 78.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.436 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 22.6 mt-30 -75.04 -30.98 61.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -133.67 83.3 48.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.719 2.279 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.37 -18.05 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 mt -85.71 155.21 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 36' ' ' ALA . 9.0 p80 -117.85 171.1 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 16.2 t-20 -33.83 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . . . -34.75 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' HIS . 7.9 mm-40 -77.87 -41.74 35.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ASN . 13.1 mt -61.38 -48.63 80.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.08 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.4 mmtt -35.75 -30.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtt -94.74 -36.76 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.6 mt -65.0 -22.09 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -52.52 3.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -54.32 -33.8 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m -80.47 -30.78 37.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.556 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 66.2 t-105 -67.01 -68.5 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -45.34 -32.77 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.65 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 18' ' ' TRP . 90.1 mt -56.49 155.13 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 69.4 p -103.87 158.87 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -40.49 -55.69 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 -33.99 37.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 10.2 mm-40 -75.85 -28.16 58.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.556 ' HE3' ' CZ2' ' A' ' 46' ' ' TRP . 35.9 mtpt -88.81 -9.7 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -55.42 -50.65 85.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.5 Cg_endo -69.81 -30.56 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 27.8 m-85 -92.04 -10.82 37.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.21 -36.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -79.25 -14.34 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -87.64 -52.65 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB2' ' C ' ' A' ' 13' ' ' ASN . . . -57.18 -34.43 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.31 -39.95 80.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.433 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 4.3 mtm . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.803 0.335 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -95.93 -173.94 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 46' ' ' TRP . . . -56.31 -47.48 78.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.96 -50.2 67.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.433 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 88.6 mtp -53.79 -48.98 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.3 t -58.85 -65.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 7.9 t90 -48.28 -30.13 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.74 -40.3 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -39.61 -32.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -92.68 -59.11 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -45.64 -57.71 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.6 ttp180 -39.02 -51.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -41.74 -42.68 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.8 ptm180 -69.64 -32.16 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 31.7 mt -69.41 -44.17 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.38 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.8 pt20 -64.63 -34.69 78.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.6 mt-30 -73.16 -35.15 66.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -128.81 83.74 65.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.6 19.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.42 -16.87 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -87.04 156.44 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' ASN . 11.9 p80 -118.37 170.85 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' LEU . 77.3 m-20 -34.97 -68.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -35.37 -38.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.37 -44.19 22.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 13.9 mt -57.92 -48.37 80.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.3 mmtm -37.12 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mtt -93.51 -34.67 13.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 84.0 mt -64.04 -25.6 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.49 -53.11 4.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -39.19 72.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 m -74.0 -29.2 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.401 ' CZ2' ' HB3' ' A' ' 14' ' ' ALA . 61.0 t-105 -68.09 -69.61 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.87 -37.46 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.88 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.8 mt -51.28 159.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.92 169.64 8.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.58 -57.09 7.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.97 -32.08 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.32 -36.18 63.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 58' ' ' VAL . 32.8 mttp -85.36 -9.63 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.654 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -54.88 -50.63 85.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.74 -31.82 19.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.69 -10.72 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' LYS . 15.2 t -93.73 -38.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -76.4 -11.08 59.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -90.78 -59.21 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' HB3' ' C ' ' A' ' 13' ' ' ASN . . . -49.77 -41.27 43.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.6 -58.42 6.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -97.84 -174.04 2.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -42.4 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.81 -47.14 61.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 71.4 mtp -57.53 -51.37 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.97 -64.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 5.8 t90 -50.31 -29.81 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.86 -36.64 64.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -39.92 -32.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 10.1 t70 -90.36 -51.03 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 4.2 mp0 -59.19 -58.42 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -38.32 -45.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -46.17 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 10.9 ptt180 -64.75 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 42' ' ' LEU . 24.8 mt -67.77 -44.75 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.84 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.0 pt20 -66.14 -36.25 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.8 mt-30 -72.03 -31.83 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -133.32 82.65 52.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.21 18.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.54 -17.9 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.4 mt -86.15 156.29 20.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.2 p80 -118.61 171.67 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 10.3 t-20 -33.98 -70.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.33 -39.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.1 mm-40 -78.29 -42.5 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.4 mt -61.19 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.32 -55.01 5.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 27.4 mmtt -36.71 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.9 mtt -95.09 -34.8 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 92.3 mt -68.05 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.4 -51.04 5.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.528 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 45' ' ' SER . 58.2 pttt -53.27 -37.28 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.316 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 4.1 m -78.49 -31.3 47.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.799 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.435 ' CE3' HD11 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.49 -68.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -43.67 -37.78 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.09 91.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 HD12 ' NE1' ' A' ' 18' ' ' TRP . 85.9 mt -46.39 152.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.2 p -98.69 174.96 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.67 -53.75 47.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.65 51.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.507 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 22.3 mm-40 -75.53 -36.14 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 58' ' ' VAL . 49.5 mttt -84.62 -11.69 55.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.666 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.7 tpt180 -55.78 -50.16 88.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.75 -31.28 20.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 29.9 m-85 -90.93 -12.77 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 54' ' ' LYS . 16.3 t -92.06 -37.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -91.09 -64.79 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB2' ' C ' ' A' ' 13' ' ' ASN . . . -37.94 -58.98 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.1 tt0 -36.91 -64.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' HG3' ' A' ' 16' ' ' MET . 1.9 p30 -95.58 -174.65 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.32 -47.43 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -62.02 -51.49 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 11.2 mtp -57.39 -59.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 61' ' ' ALA . 66.4 t -42.77 -68.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 2.0 t90 -50.48 -33.44 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.78 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -45.9 -24.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.82 -49.64 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 65.4 mm-40 -61.9 -55.57 28.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' HD22 ' A' ' 42' ' ' LEU . 19.1 ttp180 -37.8 -52.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -43.39 -45.39 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.22 -34.06 77.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.5 mt -67.2 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.76 61.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -63.3 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.458 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.6 mt-30 -70.62 -31.8 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -133.09 81.82 55.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.32 -18.66 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.98 155.25 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASN . 11.2 p80 -117.73 172.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.6 m-20 -34.58 -70.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -33.73 -38.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' ASN . 6.0 mm-40 -79.35 -43.44 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -61.34 -47.56 85.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -39.02 -65.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' SER . 20.4 mtmt -34.11 -47.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 mtm -69.71 -40.4 76.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 39' ' ' SER . 85.4 mt -66.75 -24.75 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -54.87 5.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 45' ' ' SER . 16.5 pttp -49.98 -41.45 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 12.2 m -74.63 -29.71 61.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.471 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 68.6 t-105 -70.47 -68.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -42.19 -33.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.31 96.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 18' ' ' TRP . 88.9 mt -54.94 146.65 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -97.24 170.6 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.42 -56.08 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -30.98 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 6.6 mm-40 -77.52 -34.2 54.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' VAL . 33.0 mtpt -85.94 -9.5 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.653 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -54.65 -51.04 82.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.3 Cg_endo -69.72 -31.9 19.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.477 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.9 m-85 -90.26 -10.91 42.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 54' ' ' LYS . 17.4 t -94.25 -34.3 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -81.47 -10.76 59.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -93.36 -52.22 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 17' ' ' VAL . . . -56.35 -39.37 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -53.42 -38.27 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.469 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 2.0 mtm . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.792 0.329 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.464 ' ND2' ' HG3' ' A' ' 16' ' ' MET . 1.8 p30 -101.64 179.42 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . . . -50.37 -43.2 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.01 -53.52 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 19' ' ' ALA . 80.0 mtp -58.61 -62.03 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.8 t -39.04 -61.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.3 t90 -58.52 -25.67 62.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' MET . . . -77.71 -32.37 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -44.51 -30.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -93.74 -46.19 7.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.5 mm-40 -61.96 -61.11 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 16.9 ttp85 -38.06 -47.93 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -41.57 -46.02 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.3 ptm180 -67.24 -32.87 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' CD1' HD22 ' A' ' 42' ' ' LEU . 27.0 mt -68.05 -45.87 72.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -50.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.62 -33.29 75.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.41 -32.32 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -132.02 83.27 56.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.52 18.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -107.33 -17.18 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.42 155.93 20.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ASN . 10.1 p80 -118.45 171.3 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' LEU . 5.7 t-20 -34.86 -69.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -34.39 -38.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' HIS . 12.8 mm-40 -79.82 -43.24 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' ASN . 16.3 mt -60.38 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -43.71 -55.67 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.9 mmtt -36.7 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.6 mtm -92.91 -35.36 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -67.68 -21.79 65.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.07 -49.62 4.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 45' ' ' SER . 11.7 ptpt -54.59 -37.51 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.326 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 6.6 m -78.23 -28.76 47.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' A' ' 14' ' ' ALA . 72.1 t-105 -72.89 -69.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -42.08 -34.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.78 97.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -52.38 160.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 p -106.93 176.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.1 -58.62 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.18 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.73 -35.49 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 58' ' ' VAL . 24.4 mttp -86.1 -7.42 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.657 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -56.37 -50.8 85.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.545 0.688 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.3 Cg_endo -69.79 -28.16 25.43 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.471 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 42.4 m-85 -94.76 -11.13 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 54' ' ' LYS . 12.4 t -93.01 -36.72 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.5 -10.94 59.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -95.6 -58.46 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.7 -46.05 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -49.12 -58.86 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -87.71 -177.78 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.98 89.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.573 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 24.4 mmm -59.26 -54.75 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.425 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 48.8 t -51.19 -68.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 2.9 t90 -46.63 -35.31 5.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -66.82 -36.3 82.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 1.1 ptmm? -42.92 -30.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -92.42 -25.08 18.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.9 mp0 -88.08 -60.03 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -46.38 -38.08 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 3.0 ptmt -62.03 -33.19 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.2 ptm180 -82.83 -14.16 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.69 -41.16 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.15 74.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.6 pt20 -68.32 -38.67 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 17.5 mt-30 -67.69 -33.37 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -132.54 82.77 56.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -5.22 15.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.33 -17.14 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.429 HD22 ' CG ' ' A' ' 37' ' ' GLU . 36.9 mt -86.48 158.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 36' ' ' ALA . 9.8 p80 -120.72 169.75 10.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.5 m-20 -33.24 -70.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.474 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . . . -34.83 -39.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' HIS . 54.2 mm-40 -77.74 -42.79 33.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -61.14 -50.73 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.37 -55.95 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.0 mmtt -35.08 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtt -88.72 -39.15 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 67.7 mt -63.84 -25.95 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.97 -56.97 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -36.58 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.1 m -77.07 -31.39 56.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -69.03 -69.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.03 -36.38 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.84 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 ' NE1' ' A' ' 18' ' ' TRP . 97.2 mt -58.98 157.53 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.5 167.08 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -45.66 -54.78 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.59 55.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.29 -34.42 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 58' ' ' VAL . 62.9 mttt -85.39 -9.36 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.659 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.3 tpt180 -55.7 -50.66 85.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.76 -29.13 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.0 m-85 -94.23 -9.39 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 54' ' ' LYS . 12.5 t -94.67 -36.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.18 -11.38 59.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -90.69 -51.24 5.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.17 -27.0 65.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -68.02 -40.73 82.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.435 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.9 mtm . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.412 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 1.1 p-10 -92.6 -176.06 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.37 79.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -65.59 -48.29 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.435 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 73.3 mtp -58.01 -50.23 74.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 61' ' ' ALA . 93.4 t -54.95 -64.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.561 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.0 t90 -52.0 -30.83 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.84 69.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -38.48 -36.83 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.17 -57.64 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -43.64 -56.33 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 26' ' ' LEU . 12.7 ttt-85 -41.26 -51.17 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -40.48 -40.39 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.2 ptt85 -70.06 -34.43 73.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 23' ' ' ARG . 17.1 mt -66.04 -47.02 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.53 -56.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.2 pt20 -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 7.5 mt-30 -73.5 -29.17 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.444 ' ND2' ' HE2' ' A' ' 41' ' ' MET . 63.5 m-80 -134.84 82.83 42.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -108.39 -19.64 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 30' ' ' ASN . 86.0 mt -83.65 151.71 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ASN . 10.0 p80 -112.99 170.18 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.2 m120 -35.87 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -33.6 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' ASN . 20.7 mm-40 -80.73 -43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -61.25 -43.2 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -44.05 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' SER . 9.1 mttm -33.87 -43.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.444 ' HE2' ' ND2' ' A' ' 30' ' ' ASN . 20.7 mtm -68.44 -45.13 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' SER . 76.1 mt -61.66 -23.08 65.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.84 -57.78 4.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -51.02 -35.87 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 m -77.96 -30.67 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HE2' ' A' ' 54' ' ' LYS . 65.8 t-105 -70.12 -69.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -44.08 -32.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.467 HD13 ' CE3' ' A' ' 46' ' ' TRP . 85.3 mt -57.37 152.6 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.4 p -98.98 170.83 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' HH11 ' A' ' 55' ' ' ARG . 2.3 tm? -49.55 -57.3 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.97 -33.08 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.88 -34.15 64.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HE2' ' CZ2' ' A' ' 46' ' ' TRP . 4.3 mtpm? -87.08 -7.42 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.657 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.2 tpt180 -55.94 -50.64 86.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.1 Cg_endo -69.81 -28.34 25.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.303 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 41.2 m-85 -95.19 -9.32 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 54' ' ' LYS . 11.6 t -94.4 -37.52 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.03 -10.23 59.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -93.23 -50.35 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' HB2' ' C ' ' A' ' 13' ' ' ASN . . . -59.19 -30.73 68.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.56 -40.63 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.469 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.0 mtm . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.47 ' ND2' ' HG3' ' A' ' 16' ' ' MET . 0.8 OUTLIER -106.06 -174.28 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . . . -56.41 -43.76 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.44 -53.2 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.47 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 84.1 mtp -54.67 -59.71 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' LYS . 38.9 t -43.77 -70.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 t90 -42.42 -39.74 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' NZ ' ' CE ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -36.84 -34.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -93.64 -45.16 7.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mm-40 -61.1 -58.26 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' GLU . 34.8 ttt180 -38.03 -48.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -45.84 -46.67 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.39 -28.78 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.2 mt -70.89 -44.3 66.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.06 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -65.02 -33.93 77.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -74.65 -30.82 61.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -134.33 83.34 44.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -4.95 15.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -108.26 -18.46 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.52 157.94 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 36' ' ' ALA . 15.0 p80 -122.17 172.6 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -32.56 -72.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' CB ' ' CE1' ' A' ' 34' ' ' HIS . . . -35.96 -40.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' HIS . 10.2 mm-40 -76.0 -40.0 54.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' ASN . 16.2 mt -63.54 -48.76 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.97 -55.09 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.1 mmtt -36.23 -30.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.1 mtm -93.38 -36.62 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.7 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.19 -56.8 3.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -34.66 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.1 m -79.89 -29.32 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 64.5 t-105 -68.12 -69.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -44.8 -38.94 4.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.45 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD13 ' NE1' ' A' ' 18' ' ' TRP . 76.4 mt -60.09 159.92 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -108.04 171.31 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.2 -59.28 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.02 -31.82 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -76.43 -34.23 58.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 58' ' ' VAL . 31.5 mtpt -86.63 -8.61 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.656 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -55.2 -50.87 84.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.71 -30.95 21.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.378 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 40.0 m-85 -91.55 -10.79 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.35 -37.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.24 -12.87 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -90.16 -58.95 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB2' ' C ' ' A' ' 13' ' ' ASN . . . -50.34 -41.0 50.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.68 -36.73 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.405 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.8 mtm . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -99.39 -173.83 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.24 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.78 -50.74 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.405 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.2 mtp -56.59 -54.5 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.451 HG23 ' CB ' ' A' ' 61' ' ' ALA . 82.4 t -50.13 -68.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 5.7 t90 -46.94 -33.1 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.2 -31.13 60.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -38.81 -36.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -93.17 -44.06 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 16.6 mm-40 -58.46 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -41.04 -45.2 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -47.94 -40.94 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -72.08 -26.35 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 21.6 mt -71.85 -44.09 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.0 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.1 pt20 -66.26 -37.41 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 11.3 mt-30 -70.16 -32.1 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.46 ' ND2' ' HE1' ' A' ' 41' ' ' MET . 71.7 m-80 -132.7 83.98 51.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.37 18.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.56 -16.79 14.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.7 mt -87.85 149.96 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' CE1' ' HB1' ' A' ' 36' ' ' ALA . 12.2 p80 -110.76 170.92 7.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 58.7 t30 -37.1 -69.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -34.05 -36.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ASN . 77.9 mm-40 -81.93 -43.12 18.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.5 mt -60.98 -42.75 98.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -43.81 -65.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.1 mttt -34.05 -40.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.46 ' HE1' ' ND2' ' A' ' 30' ' ' ASN . 16.9 mtm -71.36 -45.19 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' SER . 37.7 mt -64.23 -24.31 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -55.68 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -50.71 -39.92 52.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.7 m -75.61 -32.23 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 49' ' ' LEU . 68.6 t-105 -67.62 -69.48 0.31 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -42.73 -36.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.08 90.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD11 ' NE1' ' A' ' 18' ' ' TRP . 92.4 mt -55.72 152.45 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 165.2 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -42.66 -60.0 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.4 -34.16 6.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mt-10 -73.07 -36.38 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 58' ' ' VAL . 23.4 mttp -84.96 -10.08 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.7 tpt180 -54.64 -50.83 83.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.75 -32.26 18.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.9 m-85 -90.04 -10.61 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 54' ' ' LYS . 14.1 t -93.75 -36.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.54 -10.72 59.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -94.35 -60.6 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -45.58 -47.31 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.14 -59.57 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 mtm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' C ' ' HB3' ' A' ' 61' ' ' ALA . 2.1 p30 -93.36 -174.39 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.7 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.07 -52.37 66.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.1 mmm -55.56 -60.48 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.466 HG21 ' CB ' ' A' ' 61' ' ' ALA . 59.6 t -42.12 -69.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 2.1 t90 -47.8 -33.2 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -71.21 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -44.61 -31.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -93.96 -19.93 20.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -89.45 -60.93 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -45.31 -40.52 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 6.4 ptmt -57.11 -34.34 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -81.24 -15.91 54.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt -80.84 -40.5 24.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.71 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -68.11 -38.68 82.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 25.6 mt-30 -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -133.73 83.0 48.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -6.07 17.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.74 -15.96 14.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.6 mt -88.18 155.14 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' ASN . 12.7 p80 -117.48 172.36 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 47.5 m-20 -35.18 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -34.39 -37.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 9.1 mm-40 -80.34 -43.7 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.7 mt -59.38 -49.17 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.51 -55.35 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.0 mmtt -36.49 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.9 mtm -91.52 -36.42 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 39' ' ' SER . 83.8 mt -69.42 -20.96 63.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.57 -46.61 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -61.09 -38.18 85.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -76.09 -30.94 58.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CE3' HD13 ' A' ' 49' ' ' LEU . 63.2 t-105 -67.08 -69.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -44.59 -37.45 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.06 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 18' ' ' TRP . 86.5 mt -53.83 163.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.0 p -111.93 159.15 18.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -40.68 -55.46 2.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.09 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 28.9 mm-40 -75.52 -32.67 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 58' ' ' VAL . 71.4 mttt -84.72 -9.86 57.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.655 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -56.93 -50.96 85.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.1 Cg_endo -69.75 -25.37 28.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 30.5 m-85 -98.33 -9.71 24.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.9 t -95.31 -32.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.35 -12.19 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.32 -50.12 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.466 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -58.81 -33.36 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.91 -36.36 79.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 1.8 mtm . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.744 0.307 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -102.28 -179.08 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.86 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . 44.5 t80 -63.24 -51.54 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.454 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.6 mtp -54.71 -56.25 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.429 HG23 ' CB ' ' A' ' 61' ' ' ALA . 57.7 t -52.06 -63.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 t90 -49.24 -32.84 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -71.49 -39.26 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.5 ptmm? -35.98 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.2 t0 -89.5 -45.93 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 21.3 mm-40 -60.19 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -38.79 -46.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -47.42 -46.99 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -28.88 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 42' ' ' LEU . 36.1 mt -70.02 -45.29 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.66 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.3 pt20 -67.77 -37.52 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 29.0 mt-30 -68.75 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -133.2 83.42 50.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -4.59 14.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.5 -18.43 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.0 mt -85.95 158.45 19.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 36' ' ' ALA . 15.0 p80 -122.01 172.94 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -32.75 -72.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' CB ' ' CE1' ' A' ' 34' ' ' HIS . . . -36.78 -40.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' HIS . 10.7 mm-40 -76.04 -38.98 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.7 mt -64.05 -47.49 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.39 -54.89 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.4 mmtt -36.98 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -94.3 -34.46 12.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.2 mt -65.86 -27.84 68.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.01 -55.3 4.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -50.73 -36.13 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -78.66 -30.29 46.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -68.81 -69.16 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -46.01 -29.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.21 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 18' ' ' TRP . 83.8 mt -57.18 157.28 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 p -100.08 176.6 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.54 -56.87 15.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.82 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.31 -34.87 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 58' ' ' VAL . 59.6 mttt -87.06 -8.38 57.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.657 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.8 tpt180 -57.05 -50.67 86.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -25.73 28.4 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.8 m-85 -98.25 -9.4 25.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 54' ' ' LYS . 11.3 t -94.62 -35.46 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.16 -11.25 59.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -95.86 -60.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -45.31 -42.66 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.21 -61.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -96.73 -173.39 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -42.88 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.79 -49.65 56.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.2 mmm -56.75 -52.8 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.01 -61.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.5 t90 -55.77 -26.84 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -73.9 -41.8 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.3 ptmt -35.06 -34.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ALA . 29.2 t70 -92.2 -61.35 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -42.56 -56.74 2.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.493 ' CZ ' ' OD1' ' A' ' 35' ' ' ASN . 31.5 ttm180 -42.25 -47.55 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.04 -43.87 7.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -66.85 -32.77 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 ' CD1' HD23 ' A' ' 42' ' ' LEU . 21.4 mt -66.9 -41.95 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.06 -51.07 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.93 -30.91 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -78.65 -30.27 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -134.89 83.21 41.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.374 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.36 -17.76 14.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.67 155.57 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 36' ' ' ALA . 10.1 p80 -117.95 170.71 8.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 3.0 t30 -34.2 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . . . -34.14 -39.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.4 mm-40 -79.05 -43.65 23.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.3 mt -57.85 -49.07 77.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.13 -54.99 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.5 mmtp -36.63 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtm -94.34 -35.29 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.0 mt -65.05 -23.44 67.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.79 -51.33 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 45' ' ' SER . 20.4 pttp -54.99 -37.86 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.0 m -76.23 -30.72 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.509 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 65.7 t-105 -68.39 -69.58 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -46.14 -35.58 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.07 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD12 ' NE1' ' A' ' 18' ' ' TRP . 72.2 mt -52.3 154.29 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.5 p -93.07 177.44 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.89 -56.23 24.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -27.09 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 58' ' ' VAL . 33.0 mtpt -85.83 -7.83 58.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.659 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 5.6 tpt180 -57.25 -50.66 86.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.8 -24.91 28.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.16 -9.77 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.543 ' N ' ' O ' ' A' ' 54' ' ' LYS . 10.6 t -93.97 -37.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -75.75 -11.04 59.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -92.1 -59.72 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' HB1' ' C ' ' A' ' 13' ' ' ASN . . . -49.57 -35.25 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -65.42 -37.47 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 10.3 mtm . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.766 0.317 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -95.78 -175.77 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.46 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.77 -51.02 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.61 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 6.9 mtm -61.54 -47.2 86.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 13' ' ' ASN . 69.3 t -52.89 -58.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 1.3 t90 -59.56 -26.69 65.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -74.94 -41.16 60.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' ALA . 1.9 ptmm? -34.2 -33.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' ALA . 27.3 t70 -91.59 -41.74 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 8.6 mm-40 -66.62 -56.83 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 14.8 ttp-105 -37.81 -55.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -39.57 -45.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.9 ptt85 -66.35 -33.92 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ARG . 24.5 mt -66.84 -43.62 83.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -53.04 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -62.38 -33.33 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.8 mt-30 -75.09 -32.95 61.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -131.67 82.68 60.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.09 17.77 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.53 -18.56 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.5 mt -85.68 156.98 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.2 p80 -119.21 172.44 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.9 t-20 -34.13 -70.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.98 -40.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.3 mm-40 -76.85 -41.71 42.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.8 mt -61.82 -48.92 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.0 -55.32 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.6 mmtt -35.88 -30.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.7 mtt -93.97 -37.09 11.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 75.5 mt -66.45 -23.64 66.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.36 -54.4 3.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -55.71 -36.43 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 m -77.73 -29.45 51.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 59.4 t-105 -68.37 -69.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -46.46 -33.66 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.31 82.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 18' ' ' TRP . 89.6 mt -56.2 155.41 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 p -102.57 160.5 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -40.86 -58.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.18 11.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' THR . 20.6 mt-10 -78.45 -32.65 48.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 58' ' ' VAL . 34.1 mtpt -87.0 -9.18 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.666 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.6 tpt180 -55.51 -50.27 87.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.73 -31.24 21.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.5 m-85 -91.47 -11.8 36.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.7 t -92.08 -38.33 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.88 -16.34 61.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.92 -59.03 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB2' ' C ' ' A' ' 13' ' ' ASN . . . -49.46 -36.43 22.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.69 -46.27 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.559 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -91.01 -176.92 4.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.14 85.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -68.9 -46.22 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.559 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 23.8 mtp -58.38 -51.49 69.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.9 t -51.88 -69.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 2.0 t90 -48.24 -35.61 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -70.74 -35.46 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.1 ptmm? -41.55 -36.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.8 t70 -89.84 -23.19 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.0 mm-40 -83.37 -60.91 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 25.9 ttp180 -44.94 -46.0 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -47.72 -36.48 11.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 ptt85 -77.9 -22.24 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' ARG . 40.1 mt -75.45 -37.67 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.67 76.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -66.49 -40.04 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.5 mt-30 -66.39 -38.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -126.97 82.89 67.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.89 -17.2 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 HD23 ' CG ' ' A' ' 37' ' ' GLU . 35.8 mt -86.03 157.01 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.9 p80 -119.07 170.6 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 34.7 m120 -34.23 -68.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -36.19 -39.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' CG ' HD23 ' A' ' 33' ' ' LEU . 7.1 mm-40 -77.64 -43.6 30.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.1 mt -59.15 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.13 -53.04 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -38.34 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtm -94.95 -32.63 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 66.7 mt -72.38 -21.87 61.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.2 -49.79 4.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -58.18 -36.2 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.92 -27.39 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . 0.438 ' CE3' HD11 ' A' ' 49' ' ' LEU . 63.2 t-105 -71.61 -69.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -44.94 -34.34 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.22 81.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 18' ' ' TRP . 61.4 mt -54.63 152.96 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLU . 17.0 p -104.93 164.55 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.46 HD12 ' CD ' ' A' ' 55' ' ' ARG . 2.6 tm? -41.03 -57.2 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.41 45.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' CD ' HD21 ' A' ' 49' ' ' LEU . 18.5 mt-10 -76.8 -36.58 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 58' ' ' VAL . 26.8 mttt -85.28 -10.25 56.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.661 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -54.48 -50.6 84.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.74 -32.67 18.18 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.504 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.1 m-85 -89.89 -10.32 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.7 t -93.77 -37.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -75.92 -13.71 60.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -87.8 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.418 ' HB3' ' C ' ' A' ' 13' ' ' ASN . . . -46.05 -55.68 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -39.3 -57.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.408 ' C ' ' HB3' ' A' ' 61' ' ' ALA . 1.8 p30 -95.11 -174.35 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -46.85 79.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -61.86 -51.84 66.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.0 mmm -55.58 -58.54 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 61' ' ' ALA . 78.2 t -43.74 -69.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.566 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 1.7 t90 -48.77 -37.53 19.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -65.34 -36.25 83.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -41.59 -31.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.89 -28.01 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.566 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mp0 -83.4 -59.63 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 24.1 ttp85 -46.71 -44.86 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 2.7 ptmt -52.8 -31.82 40.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.49 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -85.0 -13.47 50.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 mt -82.72 -38.89 22.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.64 72.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -67.65 -39.1 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 15.9 mt-30 -66.8 -31.54 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -134.77 82.75 43.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -5.75 16.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -108.08 -15.39 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -89.37 155.98 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASN . 10.7 p80 -118.16 171.33 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 65.3 m-80 -34.72 -68.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -35.87 -39.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' HIS . 11.5 mm-40 -78.63 -44.25 24.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 13.8 mt -58.32 -49.43 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.35 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.6 mmtp -35.89 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.1 mtm -92.92 -37.11 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 39' ' ' SER . 75.7 mt -66.0 -25.33 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.98 -53.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.457 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -54.08 -33.4 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -81.28 -31.59 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -45.5 -34.72 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 18' ' ' TRP . 81.0 mt -58.04 151.29 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.5 p -98.23 167.38 10.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -49.04 -54.92 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.95 -32.16 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 43.6 mm-40 -75.84 -31.89 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 58' ' ' VAL . 31.6 mttp -84.47 -10.94 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.662 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 3.6 tpt180 -57.14 -50.54 87.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -26.24 27.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 29.6 m-85 -97.09 -11.11 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 54' ' ' LYS . 15.0 t -94.12 -31.75 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.07 -13.89 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -90.84 -58.54 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' A' ' 17' ' ' VAL . . . -51.53 -32.76 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -63.97 -35.17 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -102.82 97.34 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -111.33 86.68 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.35 -136.44 5.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -91.84 153.41 19.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 p -135.4 169.52 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.91 148.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -84.77 140.76 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -93.8 -51.64 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -119.41 152.21 52.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.857 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 161.05 47.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.424 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.5 mtm -126.31 159.03 34.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.404 ' ND2' ' HG3' ' A' ' 16' ' ' MET . 0.6 OUTLIER -100.09 -177.22 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.28 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.3 -48.55 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.424 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 70.4 mtp -54.99 -55.24 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.1 t -50.13 -70.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.2 t90 -43.2 -34.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.56 -43.04 63.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -34.73 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' ALA . 28.8 t70 -91.77 -41.46 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -66.34 -56.8 9.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -38.16 -48.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -44.81 -46.59 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.446 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 6.5 ptt85 -63.66 -32.64 74.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.2 mt -70.19 -43.51 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.54 -49.83 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.4 pt20 -67.33 -34.98 78.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.426 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.3 mt-30 -71.46 -34.06 69.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -131.7 83.96 56.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.55 18.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.1 -15.83 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.1 mt -88.1 155.88 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' ASN . 15.1 p80 -118.19 170.02 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.2 m-20 -34.48 -69.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -34.29 -38.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.6 mm-40 -79.07 -43.9 23.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -59.26 -49.98 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.35 -56.48 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 mmtt -35.15 -33.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -90.35 -38.04 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.5 mt -63.72 -27.23 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.34 -54.19 4.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.11 -37.5 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 m -77.43 -29.07 52.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.407 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.7 t-105 -73.4 -69.58 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -42.62 -33.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.69 91.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD13 ' NE1' ' A' ' 18' ' ' TRP . 64.1 mt -49.39 159.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 p -105.95 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD13 ' CD ' ' A' ' 55' ' ' ARG . 2.4 tm? -52.71 -59.15 4.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.77 -32.46 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -74.98 -35.17 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 58' ' ' VAL . 41.2 mttp -86.48 -8.65 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.654 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.1 tpt180 -55.38 -51.01 83.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -28.82 24.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.445 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 37.2 m-85 -94.72 -8.15 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.535 ' N ' ' O ' ' A' ' 54' ' ' LYS . 11.6 t -95.78 -34.84 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.1 -9.67 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -94.83 -51.55 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.09 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.65 -31.26 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -77.46 -37.6 51.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 mt -67.26 -39.96 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -64.92 -57.68 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -47.39 -31.7 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' MET . 27.3 mt-30 -64.43 -61.42 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -42.2 -24.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.508 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 5.7 mtt -81.17 -41.6 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 67' ' ' GLN . 6.6 pt20 -47.63 -38.28 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -36.13 76.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -142.39 121.57 7.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.428 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 53.5 Cg_endo -69.75 4.0 2.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -75.81 49.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.662 ' CD1' ' N ' ' A' ' 76' ' ' LYS . 44.5 p90 -127.33 -52.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.662 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -174.93 119.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.0 t -148.41 128.99 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.4 83.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.88 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -103.08 147.88 26.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.7 p -158.12 151.74 23.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -154.23 146.34 23.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -114.36 161.97 17.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.76 -118.43 0.97 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -94.47 106.8 18.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -113.69 -17.01 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.37 171.31 13.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.13 99.26 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -61.31 -63.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -113.52 149.16 41.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.505 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.6 Cg_endo -69.82 -170.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.246 . . . . 0.0 112.326 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.0 mtm -148.6 151.78 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.433 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.4 OUTLIER -91.88 -177.02 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.16 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.68 -47.53 66.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.433 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 36.5 mmm -57.98 -53.92 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -50.73 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 2.2 t90 -53.92 -25.38 20.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.69 -35.31 33.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -40.79 -34.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.451 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 t70 -92.22 -48.68 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -56.4 -58.05 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.6 ttm105 -39.26 -46.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -45.66 -47.33 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.9 ptm180 -63.63 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.456 ' CD1' HD22 ' A' ' 42' ' ' LEU . 29.5 mt -69.18 -44.3 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.88 -50.31 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.2 pt20 -66.26 -34.92 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.431 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 21.8 mt-30 -73.05 -32.23 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -133.02 82.89 53.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.74 14.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -108.52 -18.2 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.9 mt -85.86 156.0 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.522 ' CE1' ' HB1' ' A' ' 36' ' ' ALA . 9.1 p80 -118.55 170.99 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 38' ' ' LEU . 25.9 m120 -33.51 -71.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.522 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -34.06 -40.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' HIS . 25.6 mm-40 -76.87 -43.0 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.1 mt -60.23 -47.98 83.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.06 -55.25 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.6 mmtt -36.74 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.3 mtt -93.66 -35.02 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.0 mt -66.92 -26.7 66.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.38 -54.12 4.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -53.64 -37.29 62.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 m -76.8 -29.73 56.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 61.5 t-105 -68.03 -69.65 0.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -44.83 -34.23 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.36 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD12 ' CD1' ' A' ' 18' ' ' TRP . 67.9 mt -55.59 154.06 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.4 p -101.8 164.97 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -46.19 -56.3 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.0 -32.26 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.405 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.1 mm-40 -76.84 -31.4 56.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 58' ' ' VAL . 33.3 mtpt -86.97 -9.26 56.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 3.7 tpt180 -55.74 -50.61 86.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.73 -29.13 24.5 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.49 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.0 m-85 -94.31 -9.35 36.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 54' ' ' LYS . 12.7 t -94.8 -35.13 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.85 -14.09 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.91 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' HB1' ' C ' ' A' ' 13' ' ' ASN . . . -49.51 -39.97 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.486 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 7.7 tt0 -59.75 -47.87 83.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 -58.78 -25.64 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 mt -81.62 -61.87 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.14 -45.45 65.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 26.3 m -54.92 -47.77 75.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.424 ' N ' ' CG2' ' A' ' 66' ' ' VAL . 62.5 mt-30 -73.14 -15.96 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.505 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 13.1 t60 -78.09 -30.42 49.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.545 ' SD ' ' CG ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -102.04 -28.36 12.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -42.17 -34.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -41.4 81.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -124.27 112.51 28.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 79.88 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -135.02 -34.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.545 ' CG ' ' SD ' ' A' ' 69' ' ' MET . 22.8 p90 -42.06 161.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -50.94 177.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -154.91 117.69 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.67 -171.76 34.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -45.94 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.8 m -78.07 159.22 28.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -66.08 127.47 32.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -116.51 86.02 2.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -100.47 93.27 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.46 147.8 14.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -169.38 118.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -96.61 118.84 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.18 -179.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -114.18 127.12 71.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 4.8 ptp180 -93.26 21.9 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -153.49 154.12 30.06 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.738 . . . . 0.0 110.836 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.7 Cg_endo -69.8 158.53 56.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.362 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm -125.14 147.7 48.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' C ' ' HB1' ' A' ' 61' ' ' ALA . 0.6 OUTLIER -95.97 -175.18 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.98 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -73.0 -48.76 33.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.406 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 41.4 mtp -57.95 -49.38 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.2 t -55.28 -66.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.57 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 t90 -47.54 -35.5 9.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -70.67 -39.21 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -36.02 -35.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 34.9 t0 -88.84 -43.61 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -62.49 -57.62 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLU . 53.5 ttt-85 -38.06 -46.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -45.01 -48.0 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -66.74 -28.8 68.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 29.1 mt -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.57 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.3 pt20 -65.75 -37.12 85.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.404 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.9 mt-30 -69.93 -32.24 70.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -134.02 83.44 45.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -6.7 19.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.758 2.305 . . . . 0.0 112.341 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -106.88 -16.84 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.4 mt -86.71 154.39 21.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 35' ' ' ASN . 13.3 p80 -116.54 170.63 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.4 t30 -34.55 -70.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -34.27 -38.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.9 mm-40 -79.07 -43.08 24.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.8 mt -59.03 -47.6 84.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.12 -53.88 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -38.44 -31.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtm -93.65 -32.08 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.9 mt -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.15 -46.9 6.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.04 -28.11 43.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 71.1 t-105 -72.69 -69.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -40.89 -30.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.03 -50.69 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.414 HD11 ' NE1' ' A' ' 18' ' ' TRP . 98.3 mt -42.64 155.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -107.83 170.23 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -46.07 -59.53 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.76 -30.84 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -77.92 -35.19 50.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 58' ' ' VAL . 26.2 mttp -85.27 -9.7 57.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 2.0 tpt180 -55.03 -50.53 85.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.705 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.67 -32.2 19.44 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.6 m-85 -90.07 -12.05 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 54' ' ' LYS . 16.0 t -92.49 -36.93 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.88 -16.76 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.76 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' HB1' ' C ' ' A' ' 13' ' ' ASN . . . -38.79 -56.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -43.72 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' C ' HG23 ' A' ' 66' ' ' VAL . 21.6 mtp85 -46.83 -23.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 mt -90.54 -63.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -32.68 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.427 HG23 ' C ' ' A' ' 63' ' ' ARG . 30.4 m -67.0 -39.43 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -64.05 -12.36 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.4 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 50.3 t60 -93.4 -37.53 11.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 41.2 mtm -72.94 -44.16 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -55.39 -33.77 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -59.96 -31.5 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -144.21 121.88 6.7 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.607 0.718 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 -1.62 8.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -41.45 -54.07 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -38.96 156.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.11 103.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -98.73 130.91 45.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.97 -177.93 52.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.08 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.3 t -116.89 117.82 30.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 t -39.28 -48.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.547 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -151.08 109.24 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -81.29 148.6 29.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.0 131.6 6.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.534 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -90.75 168.88 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -94.38 141.74 28.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.48 -172.35 42.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mp -92.6 122.49 44.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.853 0.358 . . . . 0.0 111.101 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -56.13 -57.61 11.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.03 148.99 34.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.71 59.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -122.04 152.51 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' C ' ' HB3' ' A' ' 61' ' ' ALA . 1.8 p30 -95.92 -174.51 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.31 76.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -59.97 -52.46 65.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.8 mmm -54.72 -60.13 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 HG23 ' CB ' ' A' ' 61' ' ' ALA . 60.4 t -42.21 -69.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 4.3 t90 -47.74 -32.7 6.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.27 -35.11 68.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -41.54 -28.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.06 -51.39 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 1.8 mp0 -58.07 -56.82 17.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -38.23 -44.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -48.29 -46.66 36.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.4 ptm180 -66.66 -33.2 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 28.0 mt -66.08 -44.6 84.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -51.14 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.29 -35.25 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -129.58 82.51 67.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -5.03 15.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -108.96 -17.85 13.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 HD22 ' CG ' ' A' ' 37' ' ' GLU . 52.1 mt -85.47 160.85 19.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.429 ' CE1' ' CB ' ' A' ' 36' ' ' ALA . 9.7 p80 -121.1 170.73 9.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 14.4 t-20 -35.55 -66.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' CB ' ' CE1' ' A' ' 34' ' ' HIS . . . -38.31 -38.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.466 ' CG ' HD22 ' A' ' 33' ' ' LEU . 37.8 mm-40 -78.78 -42.31 28.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 16.5 mt -58.96 -48.71 80.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.18 -54.47 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.5 mmtm -36.96 -30.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.5 mtm -93.91 -34.91 12.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' SER . 81.8 mt -67.66 -24.81 65.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.08 -50.98 6.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -56.05 -35.67 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.312 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -78.87 -28.92 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 61.3 t-105 -68.07 -69.52 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -44.24 -38.04 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.96 83.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.4 mt -53.44 152.62 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.2 p -99.28 166.43 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.37 -54.2 14.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.08 -32.35 46.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mm-40 -75.26 -32.92 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 58' ' ' VAL . 31.4 mttt -84.79 -10.39 57.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.8 tpt180 -55.79 -50.69 85.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.71 -29.05 24.72 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.499 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 33.1 m-85 -94.06 -9.86 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 54' ' ' LYS . 14.8 t -95.0 -34.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -80.69 -11.68 59.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.64 -51.99 4.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.46 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -58.07 -32.21 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -59.46 -40.0 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -72.0 -47.04 54.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.27 -27.43 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -73.49 -57.4 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.44 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 19.6 m -58.19 -24.81 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -67.5 -23.81 65.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 80.7 t60 -86.69 -36.91 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -74.42 -36.72 63.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -64.09 -35.55 81.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.34 -32.08 73.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 68' ' ' HIS . 3.3 p80 -145.06 121.44 6.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 53.6 Cg_endo -69.77 0.47 5.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -38.99 -48.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 36.9 p90 -47.65 156.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -44.21 146.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -163.33 166.2 23.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -171.09 -93.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.67 33.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.6 m -113.06 -43.83 3.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.4 t -85.09 125.88 33.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.81 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -81.86 89.56 6.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 p -163.01 135.77 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.11 -92.4 2.0 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -165.44 122.47 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 110.817 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -147.85 129.9 15.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.01 -162.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -117.83 157.18 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 111.11 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -81.29 -49.0 11.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.436 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -110.08 156.22 40.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.515 ' HD3' ' CG ' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.75 176.7 6.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 mtm -141.19 155.62 46.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.83 177.31 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.07 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 3.3 t80 -68.34 -39.47 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmm -66.93 -55.38 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.3 t -48.52 -62.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 4.9 t90 -52.11 -31.51 31.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.79 -41.28 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.6 ptmm? -34.33 -35.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.459 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 24.5 t0 -92.51 -44.28 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -61.83 -58.68 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.2 ttp85 -41.07 -49.03 3.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -39.8 -44.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 5.6 ptt85 -70.56 -33.1 70.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' ARG . 21.1 mt -67.16 -46.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.33 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -60.68 -35.87 77.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.8 mt-30 -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.413 ' CG ' HD13 ' A' ' 33' ' ' LEU . 70.5 m-80 -130.56 82.58 64.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.674 0.75 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -6.32 18.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.258 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -107.22 -19.32 13.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.413 HD13 ' CG ' ' A' ' 30' ' ' ASN . 49.3 mt -84.46 155.32 22.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.489 ' CE1' ' HB1' ' A' ' 36' ' ' ALA . 10.1 p80 -118.12 171.39 8.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 50.7 m-20 -33.63 -70.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -34.21 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.4 mm-40 -77.82 -42.65 33.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -60.77 -50.39 73.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.4 -54.99 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.4 mmtm -35.37 -32.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.3 mtt -93.82 -36.94 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.7 mt -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.01 -57.38 4.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -50.51 -36.02 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -79.0 -32.02 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.521 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 68.2 t-105 -69.83 -68.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -45.03 -32.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.0 93.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD11 ' NE1' ' A' ' 18' ' ' TRP . 70.8 mt -58.28 150.51 21.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -100.14 167.03 10.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -45.45 -50.64 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -27.47 56.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' CD ' HD21 ' A' ' 49' ' ' LEU . 16.7 mt-10 -82.22 -34.62 28.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 58' ' ' VAL . 27.9 mtpt -87.71 -8.79 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.656 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.6 tpt180 -54.74 -50.86 83.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -30.97 21.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -92.04 -9.22 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 54' ' ' LYS . 14.2 t -95.19 -34.45 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.83 -12.29 60.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -94.07 -54.82 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.34 -37.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -59.83 -40.92 90.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' O ' ' NE2' ' A' ' 67' ' ' GLN . 62.6 mtt180 -65.82 -44.48 85.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.8 -42.77 98.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -60.37 -53.76 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.468 HG21 ' N ' ' A' ' 67' ' ' GLN . 23.0 m -59.55 -40.2 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' N ' HG21 ' A' ' 66' ' ' VAL . 1.3 mp0 -63.45 -21.48 66.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.515 ' CG ' ' HD3' ' A' ' 11' ' ' PRO . 83.7 t60 -84.49 -40.94 17.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 mtm -71.71 -39.08 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 11.7 pt20 -59.43 -35.85 74.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 7.9 t70 -61.28 -33.45 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.497 ' HE2' ' CE1' ' A' ' 68' ' ' HIS . 5.9 p80 -141.25 120.34 8.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.61 0.719 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 3.09 2.93 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -47.87 -43.77 28.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 76' ' ' LYS . 17.7 p90 -50.88 -52.15 44.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 31.0 mtmt -166.02 144.0 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 t -174.95 131.27 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.04 179.29 38.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 81' ' ' SER . 53.8 Cg_endo -69.74 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.366 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.4 m -40.43 92.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 79' ' ' PRO . 5.0 t -41.39 -56.64 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -140.95 178.15 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.836 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -72.29 -63.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.95 -49.63 0.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -108.09 157.52 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -168.94 168.83 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.47 178.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.83 141.16 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -92.82 -29.01 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -153.41 150.34 23.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.838 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.423 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.71 -177.21 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.2 mtm -146.39 153.35 40.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 1.7 p30 -97.06 -174.52 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.32 -45.02 84.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.82 -51.47 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 35.2 mmm -55.55 -58.09 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.0 t -44.68 -69.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.559 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.0 t90 -45.17 -32.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -74.53 -36.27 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.0 ptmm? -36.44 -34.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 19' ' ' ALA . 36.5 t0 -93.02 -41.27 10.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.559 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -64.02 -58.02 7.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 22' ' ' GLU . 21.3 ttm180 -38.05 -51.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -44.55 -44.53 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.7 ptt85 -64.27 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' CD1' HD21 ' A' ' 42' ' ' LEU . 25.9 mt -70.95 -45.11 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.8 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.3 pt20 -65.07 -34.44 78.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.436 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 22.6 mt-30 -75.04 -30.98 61.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -133.67 83.3 48.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.719 2.279 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.37 -18.05 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 32.9 mt -85.71 155.21 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.536 ' CE1' ' HB2' ' A' ' 36' ' ' ALA . 9.0 p80 -117.85 171.1 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 16.2 t-20 -33.83 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.536 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . . . -34.75 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' HIS . 7.9 mm-40 -77.87 -41.74 35.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ASN . 13.1 mt -61.38 -48.63 80.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.08 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.4 mmtt -35.75 -30.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtt -94.74 -36.76 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.6 mt -65.0 -22.09 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -52.52 3.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -54.32 -33.8 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m -80.47 -30.78 37.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.556 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 66.2 t-105 -67.01 -68.5 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -45.34 -32.77 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.65 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' A' ' 18' ' ' TRP . 90.1 mt -56.49 155.13 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 69.4 p -103.87 158.87 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -40.49 -55.69 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 -33.99 37.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 10.2 mm-40 -75.85 -28.16 58.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.556 ' HE3' ' CZ2' ' A' ' 46' ' ' TRP . 35.9 mtpt -88.81 -9.7 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -55.42 -50.65 85.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.5 Cg_endo -69.81 -30.56 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 27.8 m-85 -92.04 -10.82 37.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.21 -36.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -79.25 -14.34 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -87.64 -52.65 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB2' ' C ' ' A' ' 13' ' ' ASN . . . -57.18 -34.43 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.31 -39.95 80.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 26.7 mtp85 -70.27 -42.08 72.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.6 mt -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -58.94 -56.39 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 15.8 m -55.69 -36.31 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -65.3 -16.26 63.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.485 ' CE1' ' HE2' ' A' ' 72' ' ' HIS . 63.3 t60 -97.14 -33.92 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 45.4 mtm -70.61 -48.78 53.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -51.29 -32.38 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.43 -32.64 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.485 ' HE2' ' CE1' ' A' ' 68' ' ' HIS . 3.2 p80 -141.71 120.6 7.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.66 0.743 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.509 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 53.9 Cg_endo -69.72 -5.79 17.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -42.6 -35.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.509 ' CE2' ' HA ' ' A' ' 73' ' ' PRO . 2.0 p90 -44.93 170.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' HG2' ' N ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -74.46 -34.92 63.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.443 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 2.1 m -171.03 168.65 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.92 -157.99 8.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 86.12 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t -99.37 90.99 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -140.16 147.65 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.3 m -67.23 82.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 35.4 t 34.63 41.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.0 -83.81 0.28 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t 56.66 43.33 25.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 m -72.52 132.75 44.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.42 147.84 8.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mp -124.88 121.72 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -59.47 -59.83 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.3 155.56 79.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.824 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 179.57 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.222 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.433 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 4.3 mtm -140.33 154.13 46.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -95.93 -173.94 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.401 ' HB3' ' CZ2' ' A' ' 46' ' ' TRP . . . -56.31 -47.48 78.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.96 -50.2 67.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.433 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 88.6 mtp -53.79 -48.98 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.3 t -58.85 -65.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.565 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 7.9 t90 -48.28 -30.13 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.74 -40.3 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -39.61 -32.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -92.68 -59.11 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -45.64 -57.71 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.6 ttp180 -39.02 -51.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -41.74 -42.68 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.8 ptm180 -69.64 -32.16 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 31.7 mt -69.41 -44.17 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.38 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.8 pt20 -64.63 -34.69 78.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.6 mt-30 -73.16 -35.15 66.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -128.81 83.74 65.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.6 19.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.42 -16.87 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -87.04 156.44 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' ASN . 11.9 p80 -118.37 170.85 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' LEU . 77.3 m-20 -34.97 -68.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -35.37 -38.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -79.37 -44.19 22.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 13.9 mt -57.92 -48.37 80.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.3 mmtm -37.12 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mtt -93.51 -34.67 13.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 84.0 mt -64.04 -25.6 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.49 -53.11 4.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -39.19 72.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 m -74.0 -29.2 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.401 ' CZ2' ' HB3' ' A' ' 14' ' ' ALA . 61.0 t-105 -68.09 -69.61 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.87 -37.46 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.88 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.8 mt -51.28 159.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.92 169.64 8.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.58 -57.09 7.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.97 -32.08 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.32 -36.18 63.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.533 ' O ' ' N ' ' A' ' 58' ' ' VAL . 32.8 mttp -85.36 -9.63 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.654 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -54.88 -50.63 85.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.74 -31.82 19.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.69 -10.72 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.533 ' N ' ' O ' ' A' ' 54' ' ' LYS . 15.2 t -93.73 -38.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -76.4 -11.08 59.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -90.78 -59.21 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' HB3' ' C ' ' A' ' 13' ' ' ASN . . . -49.77 -41.27 43.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.6 -58.42 6.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HB3' ' NE2' ' A' ' 67' ' ' GLN . 44.2 mtt180 -47.99 -42.78 28.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.26 -46.11 81.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -58.35 -58.81 6.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.417 ' HA ' ' CG ' ' A' ' 69' ' ' MET . 27.5 m -55.88 -29.6 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 63' ' ' ARG . 46.1 mt-30 -75.94 -13.68 60.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -96.07 -36.33 11.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.417 ' CG ' ' HA ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -81.2 -27.26 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -59.44 -35.17 73.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.78 -27.87 69.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -149.19 119.68 4.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -0.43 6.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.396 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -54.99 -16.59 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CG ' ' N ' ' A' ' 76' ' ' LYS . 12.8 p90 -72.59 -53.67 11.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 8.1 mtpt -172.91 104.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 78' ' ' GLY . 1.5 m -134.97 98.4 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 77' ' ' SER . . . 36.05 61.54 0.78 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -16.74 37.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -118.49 -55.46 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.8 m -161.55 159.16 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -82.98 -50.0 9.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 m -37.85 154.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.53 86.49 0.1 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -78.74 155.48 29.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 m -126.69 95.94 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.83 152.82 5.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 mt -134.17 143.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 12.2 ttm180 -63.55 -37.34 86.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' HD3' ' C ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -117.62 154.21 50.74 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' C ' ' HG2' ' A' ' 12' ' ' MET . 54.3 Cg_endo -69.72 -171.52 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.4 ' HG2' ' C ' ' A' ' 11' ' ' PRO . 2.1 mtm -144.51 146.98 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -97.84 -174.04 2.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -42.4 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.81 -47.14 61.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 71.4 mtp -57.53 -51.37 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.9 t -53.97 -64.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.552 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 5.8 t90 -50.31 -29.81 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.86 -36.64 64.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -39.92 -32.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 10.1 t70 -90.36 -51.03 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.552 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 4.2 mp0 -59.19 -58.42 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -38.32 -45.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -46.17 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 10.9 ptt180 -64.75 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 42' ' ' LEU . 24.8 mt -67.77 -44.75 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.84 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.0 pt20 -66.14 -36.25 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.8 mt-30 -72.03 -31.83 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 -133.32 82.65 52.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.21 18.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.54 -17.9 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.4 mt -86.15 156.29 20.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.2 p80 -118.61 171.67 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 10.3 t-20 -33.98 -70.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.476 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.33 -39.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.1 mm-40 -78.29 -42.5 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.4 mt -61.19 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.32 -55.01 5.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 27.4 mmtt -36.71 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.9 mtt -95.09 -34.8 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 92.3 mt -68.05 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.4 -51.04 5.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.528 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 45' ' ' SER . 58.2 pttt -53.27 -37.28 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.316 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.418 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 4.1 m -78.49 -31.3 47.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.799 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.435 ' CE3' HD11 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.49 -68.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -43.67 -37.78 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.09 91.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 HD12 ' NE1' ' A' ' 18' ' ' TRP . 85.9 mt -46.39 152.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.2 p -98.69 174.96 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -53.67 -53.75 47.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.65 51.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.507 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 22.3 mm-40 -75.53 -36.14 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.522 ' O ' ' N ' ' A' ' 58' ' ' VAL . 49.5 mttt -84.62 -11.69 55.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.666 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.7 tpt180 -55.78 -50.16 88.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.75 -31.28 20.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 29.9 m-85 -90.93 -12.77 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.522 ' N ' ' O ' ' A' ' 54' ' ' LYS . 16.3 t -92.06 -37.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -91.09 -64.79 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -37.94 -58.98 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.1 tt0 -36.91 -64.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' C ' HG22 ' A' ' 66' ' ' VAL . 37.4 mtp180 -43.62 -34.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 61' ' ' ALA . 7.8 mt -79.56 -56.72 4.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.46 -35.14 27.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.4 HG22 ' C ' ' A' ' 63' ' ' ARG . 22.1 m -75.05 -26.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -72.56 -21.45 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.43 ' CE1' ' HE2' ' A' ' 72' ' ' HIS . 83.7 t60 -84.63 -45.37 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 mtm -68.33 -44.91 74.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -56.6 -29.79 62.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.24 -22.65 64.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.43 ' HE2' ' CE1' ' A' ' 68' ' ' HIS . 7.8 p80 -152.66 120.85 3.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 4.54 2.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -75.7 48.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.491 ' CG ' ' N ' ' A' ' 76' ' ' LYS . 42.4 p90 -134.19 -51.56 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 4.4 mtmp? -167.38 105.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -164.12 119.91 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.82 144.04 5.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 128.1 15.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' SER . 46.8 m -97.08 95.04 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' SER . 44.9 m 37.75 39.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -122.92 96.65 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -86.32 92.73 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.13 -127.74 45.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -153.85 138.63 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -159.25 156.13 28.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.46 -136.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.7 mt -130.85 131.43 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' HD3' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -83.38 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.407 ' CD ' ' HD3' ' A' ' 9' ' ' ARG . 38.4 mmm-85 -114.84 151.35 45.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 173.58 10.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -134.34 143.12 47.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' HG3' ' A' ' 16' ' ' MET . 1.9 p30 -95.58 -174.65 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.32 -47.43 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -62.02 -51.49 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 11.2 mtp -57.39 -59.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.452 HG22 ' CB ' ' A' ' 61' ' ' ALA . 66.4 t -42.77 -68.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 2.0 t90 -50.48 -33.44 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -69.78 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -45.9 -24.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.82 -49.64 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 65.4 mm-40 -61.9 -55.57 28.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' N ' HD22 ' A' ' 42' ' ' LEU . 19.1 ttp180 -37.8 -52.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -43.39 -45.39 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.22 -34.06 77.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.5 mt -67.2 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.76 61.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.458 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -63.3 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.458 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.6 mt-30 -70.62 -31.8 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -133.09 81.82 55.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.32 -18.66 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.1 mt -84.98 155.25 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASN . 11.2 p80 -117.73 172.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.6 m-20 -34.58 -70.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -33.73 -38.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 35' ' ' ASN . 6.0 mm-40 -79.35 -43.44 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -61.34 -47.56 85.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -39.02 -65.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' SER . 20.4 mtmt -34.11 -47.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 mtm -69.71 -40.4 76.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.521 ' N ' ' O ' ' A' ' 39' ' ' SER . 85.4 mt -66.75 -24.75 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -54.87 5.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 45' ' ' SER . 16.5 pttp -49.98 -41.45 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.441 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 12.2 m -74.63 -29.71 61.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.471 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 68.6 t-105 -70.47 -68.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -42.19 -33.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.31 96.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 18' ' ' TRP . 88.9 mt -54.94 146.65 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -97.24 170.6 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.42 -56.08 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -30.98 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 6.6 mm-40 -77.52 -34.2 54.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 58' ' ' VAL . 33.0 mtpt -85.94 -9.5 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.653 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -54.65 -51.04 82.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.3 Cg_endo -69.72 -31.9 19.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.477 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.9 m-85 -90.26 -10.91 42.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.534 ' N ' ' O ' ' A' ' 54' ' ' LYS . 17.4 t -94.25 -34.3 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -81.47 -10.76 59.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -93.36 -52.22 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' HG22 ' A' ' 17' ' ' VAL . . . -56.35 -39.37 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -53.42 -38.27 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -72.15 -39.51 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -65.21 -41.23 94.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -61.01 -53.23 59.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 m -60.95 -31.48 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -65.14 -23.8 67.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -84.1 -35.68 23.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 mtm -72.49 -42.93 64.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.17 -34.28 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -62.65 -33.83 75.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -144.76 121.18 6.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.72 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.479 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 53.4 Cg_endo -69.77 -0.45 6.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 73' ' ' PRO . 2.4 m-80 -36.46 -48.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' CE2' ' HA ' ' A' ' 73' ' ' PRO . 51.9 p90 -46.38 169.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -72.79 96.17 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -54.38 118.94 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.76 146.26 10.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 156.77 62.48 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' SER . 1.9 m -74.55 176.78 6.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' SER . 1.8 m 37.4 48.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' GLY . 25.9 m 35.84 36.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -95.81 -52.05 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.16 148.02 23.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 p -163.96 151.24 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -92.72 -64.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.61 -133.75 6.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 9' ' ' ARG . 4.5 mp -133.43 143.72 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' ILE . 51.8 mtm-85 -34.19 -64.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' N ' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -175.42 162.8 2.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.723 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 172.19 13.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.469 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 2.0 mtm -144.69 157.86 44.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.464 ' ND2' ' HG3' ' A' ' 16' ' ' MET . 1.8 p30 -101.64 179.42 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.42 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . . . -50.37 -43.2 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.094 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.01 -53.52 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.472 ' O ' ' N ' ' A' ' 19' ' ' ALA . 80.0 mtp -58.61 -62.03 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.8 t -39.04 -61.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.3 t90 -58.52 -25.67 62.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 16' ' ' MET . . . -77.71 -32.37 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -44.51 -30.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -93.74 -46.19 7.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.5 mm-40 -61.96 -61.11 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 16.9 ttp85 -38.06 -47.93 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -41.57 -46.02 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.3 ptm180 -67.24 -32.87 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' CD1' HD22 ' A' ' 42' ' ' LEU . 27.0 mt -68.05 -45.87 72.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -50.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.62 -33.29 75.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.41 -32.32 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -132.02 83.27 56.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.52 18.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -107.33 -17.18 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 40.0 mt -86.42 155.93 20.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 35' ' ' ASN . 10.1 p80 -118.45 171.3 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' LEU . 5.7 t-20 -34.86 -69.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -34.39 -38.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' HIS . 12.8 mm-40 -79.82 -43.24 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' ASN . 16.3 mt -60.38 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -43.71 -55.67 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.9 mmtt -36.7 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.6 mtm -92.91 -35.36 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -67.68 -21.79 65.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.07 -49.62 4.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 45' ' ' SER . 11.7 ptpt -54.59 -37.51 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.326 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 6.6 m -78.23 -28.76 47.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.42 ' CZ2' ' HB2' ' A' ' 14' ' ' ALA . 72.1 t-105 -72.89 -69.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -42.08 -34.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.78 97.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -52.38 160.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 p -106.93 176.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -54.1 -58.62 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.18 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.73 -35.49 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 58' ' ' VAL . 24.4 mttp -86.1 -7.42 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.657 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -56.37 -50.8 85.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.545 0.688 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.3 Cg_endo -69.79 -28.16 25.43 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.471 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 42.4 m-85 -94.76 -11.13 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 54' ' ' LYS . 12.4 t -93.01 -36.72 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.5 -10.94 59.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -95.6 -58.46 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.7 -46.05 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -49.12 -58.86 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -48.23 -49.16 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.02 -48.72 75.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -56.51 -59.73 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.03 -30.57 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -69.68 -23.51 63.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -86.93 -38.22 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.58 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 18.5 mtm -71.31 -40.8 70.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -55.71 -30.81 61.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -61.92 -19.78 63.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -152.87 121.07 3.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.454 ' CB ' ' HB3' ' A' ' 77' ' ' SER . 53.5 Cg_endo -69.79 5.2 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.329 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 75' ' ' TYR . 3.1 m-80 -51.08 -70.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 1.4 p90 -32.99 -54.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.567 ' HG2' ' CD2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -178.62 127.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 73' ' ' PRO . 21.7 p -133.2 86.69 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.73 -158.39 14.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 111.22 2.75 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.8 p -61.66 117.45 5.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -123.98 156.21 36.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 1' ' ' GLY . 27.1 p -36.38 -55.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -85.54 -54.4 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.31 94.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -88.3 93.06 9.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -134.5 175.87 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.57 -144.26 11.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.5 mt -129.37 109.81 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -74.23 -40.87 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.45 149.89 66.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.462 ' HG3' ' CB ' ' A' ' 68' ' ' HIS . 53.3 Cg_endo -69.79 172.61 12.35 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.248 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.3 mtm -136.42 144.62 44.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.573 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -87.71 -177.78 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.98 89.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.573 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 24.4 mmm -59.26 -54.75 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.425 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 48.8 t -51.19 -68.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.571 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 2.9 t90 -46.63 -35.31 5.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -66.82 -36.3 82.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 1.1 ptmm? -42.92 -30.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -92.42 -25.08 18.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.571 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.9 mp0 -88.08 -60.03 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.3 ttt-85 -46.38 -38.08 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 3.0 ptmt -62.03 -33.19 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.473 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.2 ptm180 -82.83 -14.16 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.69 -41.16 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.15 74.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.6 pt20 -68.32 -38.67 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.448 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 17.5 mt-30 -67.69 -33.37 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.3 m-80 -132.54 82.77 56.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -5.22 15.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.33 -17.14 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.429 HD22 ' CG ' ' A' ' 37' ' ' GLU . 36.9 mt -86.48 158.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 36' ' ' ALA . 9.8 p80 -120.72 169.75 10.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.5 m-20 -33.24 -70.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.474 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . . . -34.83 -39.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' HIS . 54.2 mm-40 -77.74 -42.79 33.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -61.14 -50.73 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.37 -55.95 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.0 mmtt -35.08 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.453 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtt -88.72 -39.15 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 67.7 mt -63.84 -25.95 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.97 -56.97 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -36.58 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.1 m -77.07 -31.39 56.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 -69.03 -69.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.03 -36.38 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.84 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 HD13 ' NE1' ' A' ' 18' ' ' TRP . 97.2 mt -58.98 157.53 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.5 167.08 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -45.66 -54.78 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.59 55.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.29 -34.42 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 58' ' ' VAL . 62.9 mttt -85.39 -9.36 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.659 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.3 tpt180 -55.7 -50.66 85.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.76 -29.13 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.515 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.0 m-85 -94.23 -9.39 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 54' ' ' LYS . 12.5 t -94.67 -36.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.18 -11.38 59.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -90.69 -51.24 5.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.17 -27.0 65.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 11.4 tt0 -68.02 -40.73 82.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -68.48 -38.25 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -76.49 -39.88 51.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.42 ' HA ' ' CB ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -64.01 -43.06 96.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 62' ' ' GLU . 18.5 m -66.32 -24.8 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.415 ' N ' HG23 ' A' ' 66' ' ' VAL . 26.5 mt-30 -73.06 -15.64 61.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.462 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 58.9 t60 -89.66 -39.27 13.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.5 mtm -73.72 -39.47 64.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 17.2 pt20 -56.36 -39.0 72.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 3.5 m-20 -58.57 -39.62 80.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -136.76 120.68 12.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 0.81 5.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.241 . . . . 0.0 112.315 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -47.48 -35.67 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.9 p90 -52.88 138.23 30.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -49.49 147.33 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 t 64.41 38.82 7.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.78 -84.76 0.45 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.1 22.54 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.698 2.266 . . . . 0.0 112.377 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 p -170.0 142.31 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.0 t -127.47 82.06 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -111.93 40.98 2.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p 40.16 42.13 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.84 -140.14 1.09 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -113.09 160.73 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.392 . . . . 0.0 110.821 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -96.58 165.61 12.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.03 139.01 5.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mm -101.07 150.1 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 111.082 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' N ' ' HD3' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -88.58 -41.87 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 1.2 mpt_? -99.17 155.27 36.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.816 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.511 ' HD3' ' CG ' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.82 154.56 67.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.357 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.435 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.9 mtm -119.63 151.41 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 1.1 p-10 -92.6 -176.06 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.37 79.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -65.59 -48.29 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.435 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 73.3 mtp -58.01 -50.23 74.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.409 HG22 ' CB ' ' A' ' 61' ' ' ALA . 93.4 t -54.95 -64.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.561 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.0 t90 -52.0 -30.83 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.07 -36.84 69.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -38.48 -36.83 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.17 -57.64 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.561 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -43.64 -56.33 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 26' ' ' LEU . 12.7 ttt-85 -41.26 -51.17 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -40.48 -40.39 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.2 ptt85 -70.06 -34.43 73.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 23' ' ' ARG . 17.1 mt -66.04 -47.02 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.53 -56.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.463 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.2 pt20 -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 7.5 mt-30 -73.5 -29.17 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.444 ' ND2' ' HE2' ' A' ' 41' ' ' MET . 63.5 m-80 -134.84 82.83 42.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -108.39 -19.64 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 30' ' ' ASN . 86.0 mt -83.65 151.71 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ASN . 10.0 p80 -112.99 170.18 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.2 m120 -35.87 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -33.6 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' ASN . 20.7 mm-40 -80.73 -43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -61.25 -43.2 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -44.05 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' SER . 9.1 mttm -33.87 -43.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.444 ' HE2' ' ND2' ' A' ' 30' ' ' ASN . 20.7 mtm -68.44 -45.13 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' SER . 76.1 mt -61.66 -23.08 65.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.84 -57.78 4.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -51.02 -35.87 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 m -77.96 -30.67 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.572 ' CZ2' ' HE2' ' A' ' 54' ' ' LYS . 65.8 t-105 -70.12 -69.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -44.08 -32.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.467 HD13 ' CE3' ' A' ' 46' ' ' TRP . 85.3 mt -57.37 152.6 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.4 p -98.98 170.83 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' HH11 ' A' ' 55' ' ' ARG . 2.3 tm? -49.55 -57.3 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.97 -33.08 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.88 -34.15 64.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.572 ' HE2' ' CZ2' ' A' ' 46' ' ' TRP . 4.3 mtpm? -87.08 -7.42 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.657 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.2 tpt180 -55.94 -50.64 86.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.1 Cg_endo -69.81 -28.34 25.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.303 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 41.2 m-85 -95.19 -9.32 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' ' 54' ' ' LYS . 11.6 t -94.4 -37.52 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.03 -10.23 59.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -93.23 -50.35 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' HB2' ' C ' ' A' ' 13' ' ' ASN . . . -59.19 -30.73 68.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.56 -40.63 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -65.98 -39.71 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.59 -28.93 67.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 66' ' ' VAL . 6.1 ttm180 -72.15 -56.01 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 11.3 m -56.66 -27.13 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' GLN . 32.8 mt-30 -69.91 -56.88 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.511 ' CG ' ' HD3' ' A' ' 11' ' ' PRO . 80.1 t60 -41.93 -26.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.563 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 52.1 mtt -79.63 -41.38 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' GLN . 5.5 pt20 -45.21 -35.56 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.93 -38.56 86.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -138.28 120.84 10.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.75 3.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -51.5 -33.6 32.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 69' ' ' MET . 7.8 p90 -62.51 -49.09 76.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 19.7 mtmt -157.96 140.1 14.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 t -171.35 154.85 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.63 88.27 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.89 3.1 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.759 2.306 . . . . 0.0 112.33 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.6 m -63.04 125.39 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 m -109.81 -45.06 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -82.72 168.13 17.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 m -98.49 -54.84 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.52 161.02 28.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -100.85 148.29 25.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.907 0.384 . . . . 0.0 110.801 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -62.97 166.42 5.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.7 -175.21 30.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -128.3 139.18 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -58.56 -51.86 68.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 9' ' ' ARG . 21.4 mmm-85 -107.73 151.54 41.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.4 Cg_endo -69.8 177.72 5.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.469 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.0 mtm -139.62 163.12 33.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.47 ' ND2' ' HG3' ' A' ' 16' ' ' MET . 0.8 OUTLIER -106.06 -174.28 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' HB2' ' CZ2' ' A' ' 46' ' ' TRP . . . -56.41 -43.76 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.44 -53.2 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.47 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 84.1 mtp -54.67 -59.71 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 20' ' ' LYS . 38.9 t -43.77 -70.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 t90 -42.42 -39.74 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' NZ ' ' CE ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -36.84 -34.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -93.64 -45.16 7.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mm-40 -61.1 -58.26 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' GLU . 34.8 ttt180 -38.03 -48.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -45.84 -46.67 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.39 -28.78 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.2 mt -70.89 -44.3 66.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.06 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -65.02 -33.93 77.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -74.65 -30.82 61.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -134.33 83.34 44.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -4.95 15.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -108.26 -18.46 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.52 157.94 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 36' ' ' ALA . 15.0 p80 -122.17 172.6 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -32.56 -72.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' CB ' ' CE1' ' A' ' 34' ' ' HIS . . . -35.96 -40.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' HIS . 10.2 mm-40 -76.0 -40.0 54.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 35' ' ' ASN . 16.2 mt -63.54 -48.76 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.97 -55.09 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.1 mmtt -36.23 -30.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.482 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.1 mtm -93.38 -36.62 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.7 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.19 -56.8 3.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -34.66 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.1 m -79.89 -29.32 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.45 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 64.5 t-105 -68.12 -69.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -44.8 -38.94 4.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.45 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD13 ' NE1' ' A' ' 18' ' ' TRP . 76.4 mt -60.09 159.92 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -108.04 171.31 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.2 -59.28 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.02 -31.82 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -76.43 -34.23 58.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 58' ' ' VAL . 31.5 mtpt -86.63 -8.61 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.656 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -55.2 -50.87 84.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.71 -30.95 21.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.378 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.41 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 40.0 m-85 -91.55 -10.79 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.35 -37.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.24 -12.87 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -90.16 -58.95 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.421 ' HB2' ' C ' ' A' ' 13' ' ' ASN . . . -50.34 -41.0 50.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.68 -36.73 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -69.67 -37.9 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.55 -40.46 84.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -63.42 -56.4 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' HA ' ' CG ' ' A' ' 69' ' ' MET . 24.1 m -54.5 -34.38 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.24 -14.15 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.404 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 29.4 t60 -95.13 -43.07 8.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.426 ' CG ' ' HA ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -72.52 -27.19 62.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 15.1 pt20 -67.4 -37.07 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 76.5 m-20 -61.06 -27.85 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -145.37 119.98 5.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.536 0.684 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 0.1 6.14 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -43.14 -42.83 4.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 76' ' ' LYS . 15.7 p90 -54.63 162.01 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -69.38 174.23 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.464 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 32.7 p -144.27 147.9 34.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.19 -166.4 10.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 143.94 52.16 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 p -91.47 -49.19 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -48.28 130.92 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 56.68 44.19 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -113.16 105.96 14.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.07 -166.72 26.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -132.85 133.21 43.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.383 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -138.76 163.07 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.59 -160.71 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mt -120.05 135.3 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -61.35 -53.41 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' HD3' ' CG ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -154.23 151.22 23.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 163.24 39.05 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.405 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.8 mtm -122.61 151.68 41.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 0.2 OUTLIER -99.39 -173.83 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.24 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.78 -50.74 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.405 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.2 mtp -56.59 -54.5 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.451 HG23 ' CB ' ' A' ' 61' ' ' ALA . 82.4 t -50.13 -68.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.568 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 5.7 t90 -46.94 -33.1 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.2 -31.13 60.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -38.81 -36.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -93.17 -44.06 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 16.6 mm-40 -58.46 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -41.04 -45.2 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -47.94 -40.94 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.6 ptt-85 -72.08 -26.35 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 21.6 mt -71.85 -44.09 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.0 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.1 pt20 -66.26 -37.41 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 11.3 mt-30 -70.16 -32.1 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.46 ' ND2' ' HE1' ' A' ' 41' ' ' MET . 71.7 m-80 -132.7 83.98 51.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.37 18.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.56 -16.79 14.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 37.7 mt -87.85 149.96 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' CE1' ' HB1' ' A' ' 36' ' ' ALA . 12.2 p80 -110.76 170.92 7.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 58.7 t30 -37.1 -69.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 34' ' ' HIS . . . -34.05 -36.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ASN . 77.9 mm-40 -81.93 -43.12 18.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.5 mt -60.98 -42.75 98.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -43.81 -65.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.1 mttt -34.05 -40.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.46 ' HE1' ' ND2' ' A' ' 30' ' ' ASN . 16.9 mtm -71.36 -45.19 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' SER . 37.7 mt -64.23 -24.31 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -55.68 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -50.71 -39.92 52.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.42 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.7 m -75.61 -32.23 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.402 ' O ' ' N ' ' A' ' 49' ' ' LEU . 68.6 t-105 -67.62 -69.48 0.31 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -42.73 -36.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.08 90.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD11 ' NE1' ' A' ' 18' ' ' TRP . 92.4 mt -55.72 152.45 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 165.2 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -42.66 -60.0 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.4 -34.16 6.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mt-10 -73.07 -36.38 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 58' ' ' VAL . 23.4 mttp -84.96 -10.08 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.658 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.7 tpt180 -54.64 -50.83 83.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.75 -32.26 18.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.462 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.9 m-85 -90.04 -10.61 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 54' ' ' LYS . 14.1 t -93.75 -36.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.54 -10.72 59.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -94.35 -60.6 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -45.58 -47.31 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.14 -59.57 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 -47.38 -47.04 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.5 -44.34 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -60.45 -63.2 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.0 m -44.98 -33.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 70' ' ' GLN . 50.7 mt-30 -65.84 -61.59 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -39.67 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.589 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 39.5 mtt -80.64 -41.81 23.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 67' ' ' GLN . 5.7 pt20 -44.1 -33.22 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -63.2 -39.31 94.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -137.8 120.16 11.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.521 0.677 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.83 2.53 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.83 -25.28 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.589 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 10.0 p90 -66.98 -51.35 56.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -176.45 147.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.3 t -174.62 106.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.06 -101.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 142.03 46.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.264 . . . . 0.0 112.328 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -70.09 -53.95 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 t 47.7 44.8 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -78.7 166.31 22.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -138.38 159.28 42.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.24 50.73 0.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 m -150.55 142.83 24.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -78.06 -44.15 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.59 -131.06 1.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.4 mm -121.46 142.8 36.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 111.143 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -96.94 12.45 32.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -139.57 151.8 67.26 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.933 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 177.35 5.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 mtm -139.85 149.34 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' C ' ' HB3' ' A' ' 61' ' ' ALA . 2.1 p30 -93.36 -174.39 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.7 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.07 -52.37 66.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.1 mmm -55.56 -60.48 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.466 HG21 ' CB ' ' A' ' 61' ' ' ALA . 59.6 t -42.12 -69.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.567 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 2.1 t90 -47.8 -33.2 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -71.21 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -44.61 -31.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -93.96 -19.93 20.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -89.45 -60.93 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.4 ttt-85 -45.31 -40.52 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 6.4 ptmt -57.11 -34.34 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -81.24 -15.91 54.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.459 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt -80.84 -40.5 24.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.71 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -68.11 -38.68 82.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 25.6 mt-30 -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -133.73 83.0 48.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -6.07 17.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.74 -15.96 14.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 31.6 mt -88.18 155.14 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.428 ' O ' ' C ' ' A' ' 35' ' ' ASN . 12.7 p80 -117.48 172.36 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 47.5 m-20 -35.18 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -34.39 -37.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 9.1 mm-40 -80.34 -43.7 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.7 mt -59.38 -49.17 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.51 -55.35 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.0 mmtt -36.49 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.9 mtm -91.52 -36.42 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 39' ' ' SER . 83.8 mt -69.42 -20.96 63.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.57 -46.61 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -61.09 -38.18 85.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -76.09 -30.94 58.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.433 ' CE3' HD13 ' A' ' 49' ' ' LEU . 63.2 t-105 -67.08 -69.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -44.59 -37.45 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.06 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 18' ' ' TRP . 86.5 mt -53.83 163.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.0 p -111.93 159.15 18.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -40.68 -55.46 2.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.09 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 28.9 mm-40 -75.52 -32.67 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' A' ' 58' ' ' VAL . 71.4 mttt -84.72 -9.86 57.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.655 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -56.93 -50.96 85.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.1 Cg_endo -69.75 -25.37 28.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 30.5 m-85 -98.33 -9.71 24.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.9 t -95.31 -32.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.35 -12.19 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.32 -50.12 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.466 ' CB ' HG21 ' A' ' 17' ' ' VAL . . . -58.81 -33.36 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.91 -36.36 79.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 67' ' ' GLN . 33.7 mtp180 -73.43 -38.37 65.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.7 -41.9 87.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -59.43 -57.55 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.63 -30.17 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 29.4 mt-30 -65.94 -18.53 65.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -91.82 -36.32 13.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.0 mtm -72.71 -38.39 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.11 -39.49 90.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.95 -37.54 71.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -139.88 122.13 9.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.576 0.703 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' ASN . 53.5 Cg_endo -69.75 -4.97 15.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 73' ' ' PRO . 4.2 m-80 -34.34 -45.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 76' ' ' LYS . 25.7 p90 -54.53 -175.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 75' ' ' TYR . 11.9 tppt? -34.41 -66.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 m 61.51 32.67 18.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.25 -149.02 7.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 114.07 3.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.28 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.4 m -91.38 148.23 22.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.1 t -118.09 164.04 15.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -91.69 145.18 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -126.1 139.22 53.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 -125.08 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -157.87 152.46 24.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -146.32 160.73 41.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.14 139.75 3.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -83.1 153.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -98.24 -40.75 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -114.15 156.36 44.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.914 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 164.71 33.59 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.454 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 1.8 mtm -135.19 157.54 46.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.471 ' ND2' ' HB3' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -102.28 -179.08 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.86 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.471 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . 44.5 t80 -63.24 -51.54 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.454 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.6 mtp -54.71 -56.25 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.429 HG23 ' CB ' ' A' ' 61' ' ' ALA . 57.7 t -52.06 -63.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.564 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.9 t90 -49.24 -32.84 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -71.49 -39.26 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.5 ptmm? -35.98 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.2 t0 -89.5 -45.93 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.564 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 21.3 mm-40 -60.19 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -38.79 -46.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -47.42 -46.99 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -28.88 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' HD22 ' A' ' 42' ' ' LEU . 36.1 mt -70.02 -45.29 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.66 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.3 pt20 -67.77 -37.52 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 29.0 mt-30 -68.75 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -133.2 83.42 50.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -4.59 14.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.5 -18.43 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 24.0 mt -85.95 158.45 19.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.489 ' CE1' ' CB ' ' A' ' 36' ' ' ALA . 15.0 p80 -122.01 172.94 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -32.75 -72.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' CB ' ' CE1' ' A' ' 34' ' ' HIS . . . -36.78 -40.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' HIS . 10.7 mm-40 -76.04 -38.98 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.7 mt -64.05 -47.49 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.39 -54.89 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.4 mmtt -36.98 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -94.3 -34.46 12.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.2 mt -65.86 -27.84 68.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.01 -55.3 4.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -50.73 -36.13 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -78.66 -30.29 46.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -68.81 -69.16 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -46.01 -29.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.21 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' A' ' 18' ' ' TRP . 83.8 mt -57.18 157.28 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 p -100.08 176.6 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -56.54 -56.87 15.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.82 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.31 -34.87 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 58' ' ' VAL . 59.6 mttt -87.06 -8.38 57.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.657 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.8 tpt180 -57.05 -50.67 86.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -25.73 28.4 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.428 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.8 m-85 -98.25 -9.4 25.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 54' ' ' LYS . 11.3 t -94.62 -35.46 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.16 -11.25 59.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -95.86 -60.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' CB ' HG23 ' A' ' 17' ' ' VAL . . . -45.31 -42.66 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.21 -61.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -45.9 -40.66 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.72 -44.47 73.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -58.19 -53.1 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.9 m -57.22 -41.84 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -51.31 -43.85 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -58.41 -52.45 65.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.0 mtm -64.92 -12.6 51.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.88 -52.52 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.92 -20.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.563 ' HD1' ' ND2' ' A' ' 74' ' ' ASN . 4.1 p80 -151.16 121.62 3.7 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.566 0.698 . . . . 0.0 110.86 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 74' ' ' ASN . 53.8 Cg_endo -69.74 3.55 2.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.563 ' ND2' ' HD1' ' A' ' 72' ' ' HIS . 0.1 OUTLIER -37.15 -35.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.402 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 19.9 p90 -66.02 161.19 22.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 155.27 34.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.3 m -139.12 133.11 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -164.27 -83.4 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.22 29.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.304 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.0 p -52.94 135.66 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.5 p -92.63 156.87 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -112.24 -37.06 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -135.16 123.5 23.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.85 83.66 1.01 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -92.38 127.77 37.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -103.38 -44.79 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.86 172.99 14.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.5 mt -121.18 123.93 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 111.171 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -45.75 -40.96 10.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 2.1 mpt_? -104.11 151.99 39.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -176.93 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.33 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.6 mtm -129.62 149.11 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.47 ' N ' ' OD1' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -96.73 -173.39 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -42.88 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.79 -49.65 56.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 46.2 mmm -56.75 -52.8 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.4 t -51.01 -61.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.5 t90 -55.77 -26.84 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -73.9 -41.8 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.3 ptmt -35.06 -34.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ALA . 29.2 t70 -92.2 -61.35 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -42.56 -56.74 2.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.493 ' CZ ' ' OD1' ' A' ' 35' ' ' ASN . 31.5 ttm180 -42.25 -47.55 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.04 -43.87 7.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -66.85 -32.77 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' CD1' HD23 ' A' ' 42' ' ' LEU . 21.4 mt -66.9 -41.95 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.06 -51.07 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.93 -30.91 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -78.65 -30.27 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -134.89 83.21 41.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.374 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.36 -17.76 14.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.67 155.57 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.451 ' CE1' ' HB2' ' A' ' 36' ' ' ALA . 10.1 p80 -117.95 170.71 8.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 3.0 t30 -34.2 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . . . -34.14 -39.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.4 mm-40 -79.05 -43.65 23.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.3 mt -57.85 -49.07 77.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.13 -54.99 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.5 mmtp -36.63 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtm -94.34 -35.29 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 94.0 mt -65.05 -23.44 67.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.79 -51.33 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 45' ' ' SER . 20.4 pttp -54.99 -37.86 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.433 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.0 m -76.23 -30.72 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.509 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 65.7 t-105 -68.39 -69.58 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -46.14 -35.58 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.07 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD12 ' NE1' ' A' ' 18' ' ' TRP . 72.2 mt -52.3 154.29 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.5 p -93.07 177.44 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -58.89 -56.23 24.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -27.09 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.543 ' O ' ' N ' ' A' ' 58' ' ' VAL . 33.0 mtpt -85.83 -7.83 58.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.659 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 5.6 tpt180 -57.25 -50.66 86.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.8 -24.91 28.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.16 -9.77 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.543 ' N ' ' O ' ' A' ' 54' ' ' LYS . 10.6 t -93.97 -37.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -75.75 -11.04 59.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -92.1 -59.72 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.418 ' HB1' ' C ' ' A' ' 13' ' ' ASN . . . -49.57 -35.25 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -65.42 -37.47 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -69.34 -29.66 67.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -79.14 -43.5 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -55.65 -56.0 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' HA ' ' CE ' ' A' ' 69' ' ' MET . 30.0 m -55.6 -42.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -64.57 -20.08 66.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -84.02 -31.32 25.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.568 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -99.69 -12.76 19.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -55.63 -36.2 66.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.77 -33.77 74.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' MET . 5.4 p80 -141.19 120.8 8.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 54.2 Cg_endo -69.74 6.6 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.376 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.5 59.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 39.8 p90 -142.0 167.9 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' TYR . 26.6 tttm -34.13 141.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.6 p -174.32 158.57 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.39 162.67 9.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.7 Cg_endo -69.76 -14.61 36.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.317 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' PRO . 5.3 m -37.1 115.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 t -105.47 150.24 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -113.26 177.23 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -98.61 -53.64 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 87.53 -39.54 3.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 34.9 p -37.4 126.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -97.04 40.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 167.18 36.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.29 147.04 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.405 ' CG ' ' HD2' ' A' ' 10' ' ' ARG . 15.9 tpp180 -65.98 -55.2 17.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -124.91 156.1 69.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.78 9.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 10.3 mtm -131.62 149.7 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.61 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -95.78 -175.77 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.46 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.77 -51.02 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.61 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 6.9 mtm -61.54 -47.2 86.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 13' ' ' ASN . 69.3 t -52.89 -58.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.56 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 1.3 t90 -59.56 -26.69 65.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -74.94 -41.16 60.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' ALA . 1.9 ptmm? -34.2 -33.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' ALA . 27.3 t70 -91.59 -41.74 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 8.6 mm-40 -66.62 -56.83 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 14.8 ttp-105 -37.81 -55.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -39.57 -45.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.9 ptt85 -66.35 -33.92 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ARG . 24.5 mt -66.84 -43.62 83.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -53.04 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -62.38 -33.33 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.8 mt-30 -75.09 -32.95 61.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -131.67 82.68 60.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.09 17.77 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.53 -18.56 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 50.5 mt -85.68 156.98 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.2 p80 -119.21 172.44 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.9 t-20 -34.13 -70.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.98 -40.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.3 mm-40 -76.85 -41.71 42.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.8 mt -61.82 -48.92 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.0 -55.32 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.6 mmtt -35.88 -30.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.7 mtt -93.97 -37.09 11.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 75.5 mt -66.45 -23.64 66.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.36 -54.4 3.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -55.71 -36.43 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 m -77.73 -29.45 51.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 59.4 t-105 -68.37 -69.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -46.46 -33.66 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.31 82.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 18' ' ' TRP . 89.6 mt -56.2 155.41 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 p -102.57 160.5 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -40.86 -58.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.18 11.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' THR . 20.6 mt-10 -78.45 -32.65 48.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.531 ' O ' ' N ' ' A' ' 58' ' ' VAL . 34.1 mtpt -87.0 -9.18 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.666 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 4.6 tpt180 -55.51 -50.27 87.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.73 -31.24 21.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.5 m-85 -91.47 -11.8 36.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.531 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.7 t -92.08 -38.33 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.88 -16.34 61.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.92 -59.03 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.423 ' HB2' ' C ' ' A' ' 13' ' ' ASN . . . -49.46 -36.43 22.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' CG1' ' A' ' 66' ' ' VAL . 7.9 tt0 -61.69 -46.27 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -63.4 -23.44 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.8 mt -85.23 -56.42 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -53.5 -41.82 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.47 ' HA ' ' CE ' ' A' ' 69' ' ' MET . 34.4 m -58.58 -46.49 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.465 ' NE2' HG21 ' A' ' 66' ' ' VAL . 1.8 mp0 -64.75 -20.14 66.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -78.75 -30.9 45.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.572 ' HB2' ' CD1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -101.57 -18.9 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.64 -32.33 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -61.72 -15.78 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.587 ' HD1' ' ND2' ' A' ' 74' ' ' ASN . 5.5 p80 -151.86 119.02 3.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.83 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 78.33 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.707 ' ND2' ' H ' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -128.42 -51.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.707 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 11.7 p90 -31.01 -57.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -132.39 -69.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 t 63.81 39.29 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.35 -159.0 15.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 152.48 69.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -106.65 -58.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 86.6 p -77.25 166.91 22.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -169.96 156.29 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -110.2 161.81 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.0 85.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -133.96 107.03 7.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -97.21 -56.38 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.48 -152.11 9.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.9 mt -119.24 145.74 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.342 . . . . 0.0 111.104 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -100.37 -52.37 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -113.86 153.36 46.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.47 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 54.2 Cg_endo -69.73 157.37 60.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.404 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm -128.07 147.85 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.559 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.8 OUTLIER -91.01 -176.92 4.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.14 85.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -68.9 -46.22 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.559 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 23.8 mtp -58.38 -51.49 69.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.9 t -51.88 -69.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.576 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 2.0 t90 -48.24 -35.61 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -70.74 -35.46 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.1 ptmm? -41.55 -36.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.8 t70 -89.84 -23.19 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.576 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.0 mm-40 -83.37 -60.91 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 25.9 ttp180 -44.94 -46.0 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -47.72 -36.48 11.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.478 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 ptt85 -77.9 -22.24 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 23' ' ' ARG . 40.1 mt -75.45 -37.67 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.67 76.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -66.49 -40.04 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.5 mt-30 -66.39 -38.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -126.97 82.89 67.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.89 -17.2 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 HD23 ' CG ' ' A' ' 37' ' ' GLU . 35.8 mt -86.03 157.01 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.456 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.9 p80 -119.07 170.6 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 34.7 m120 -34.23 -68.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -36.19 -39.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.472 ' CG ' HD23 ' A' ' 33' ' ' LEU . 7.1 mm-40 -77.64 -43.6 30.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.1 mt -59.15 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.13 -53.04 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -38.34 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtm -94.95 -32.63 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 66.7 mt -72.38 -21.87 61.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.2 -49.79 4.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -58.18 -36.2 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.92 -27.39 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . 0.438 ' CE3' HD11 ' A' ' 49' ' ' LEU . 63.2 t-105 -71.61 -69.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -44.94 -34.34 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.22 81.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD12 ' CD1' ' A' ' 18' ' ' TRP . 61.4 mt -54.63 152.96 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLU . 17.0 p -104.93 164.55 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.46 HD12 ' CD ' ' A' ' 55' ' ' ARG . 2.6 tm? -41.03 -57.2 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.41 45.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' CD ' HD21 ' A' ' 49' ' ' LEU . 18.5 mt-10 -76.8 -36.58 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 58' ' ' VAL . 26.8 mttt -85.28 -10.25 56.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.661 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -54.48 -50.6 84.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.74 -32.67 18.18 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.504 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.1 m-85 -89.89 -10.32 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.527 ' N ' ' O ' ' A' ' 54' ' ' LYS . 13.7 t -93.77 -37.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -75.92 -13.71 60.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -87.8 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -46.05 -55.68 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 6.8 tt0 -39.3 -57.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 -52.33 -32.62 38.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 61' ' ' ALA . 13.8 mt -79.85 -60.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.413 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -47.35 -39.21 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' N ' ' HD2' ' A' ' 65' ' ' ARG . 26.9 m -74.62 -40.0 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -62.64 -12.71 24.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 82.8 t60 -92.39 -19.99 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.551 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 9.6 mtt -77.05 -42.63 37.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -41.53 -42.17 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -55.82 -42.12 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -137.12 121.62 12.39 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.433 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 53.7 Cg_endo -69.8 -2.79 10.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.365 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -46.49 -29.61 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.551 ' CD1' ' HB3' ' A' ' 69' ' ' MET . 31.7 p90 -55.24 -48.51 73.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 12.6 tmtt? -172.4 129.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -166.17 141.03 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.13 -73.62 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.07 25.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.256 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 m -126.24 89.27 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -152.25 160.89 43.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -145.44 125.78 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -60.97 165.05 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.81 73.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -135.02 129.41 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -150.65 120.74 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.49 146.82 3.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -111.73 136.28 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -37.76 -53.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -129.94 153.86 81.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.468 ' HG3' ' CB ' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.77 -174.1 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm -146.81 150.55 35.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.408 ' C ' ' HB3' ' A' ' 61' ' ' ALA . 1.8 p30 -95.11 -174.35 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -46.85 79.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -61.86 -51.84 66.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.0 mmm -55.58 -58.54 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 61' ' ' ALA . 78.2 t -43.74 -69.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.566 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 1.7 t90 -48.77 -37.53 19.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -65.34 -36.25 83.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -41.59 -31.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -89.89 -28.01 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.566 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mp0 -83.4 -59.63 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HB2' ' CD1' ' A' ' 42' ' ' LEU . 24.1 ttp85 -46.71 -44.86 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 2.7 ptmt -52.8 -31.82 40.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.49 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -85.0 -13.47 50.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 mt -82.72 -38.89 22.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.64 72.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -67.65 -39.1 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.414 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 15.9 mt-30 -66.8 -31.54 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -134.77 82.75 43.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -5.75 16.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -108.08 -15.39 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.5 mt -89.37 155.98 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' O ' ' C ' ' A' ' 35' ' ' ASN . 10.7 p80 -118.16 171.33 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 65.3 m-80 -34.72 -68.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 35' ' ' ASN . . . -35.87 -39.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 34' ' ' HIS . 11.5 mm-40 -78.63 -44.25 24.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 13.8 mt -58.32 -49.43 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.35 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.6 mmtp -35.89 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.1 mtm -92.92 -37.11 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' ' 39' ' ' SER . 75.7 mt -66.0 -25.33 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.98 -53.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.457 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -54.08 -33.4 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -81.28 -31.59 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -45.5 -34.72 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 18' ' ' TRP . 81.0 mt -58.04 151.29 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.5 p -98.23 167.38 10.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -49.04 -54.92 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.95 -32.16 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 43.6 mm-40 -75.84 -31.89 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 58' ' ' VAL . 31.6 mttp -84.47 -10.94 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.662 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 3.6 tpt180 -57.14 -50.54 87.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -26.24 27.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 29.6 m-85 -97.09 -11.11 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' ' 54' ' ' LYS . 15.0 t -94.12 -31.75 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.07 -13.89 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -90.84 -58.54 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.443 ' CB ' HG22 ' A' ' 17' ' ' VAL . . . -51.53 -32.76 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -63.97 -35.17 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 49.4 mtp180 -70.85 -39.09 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.77 -48.43 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -56.04 -63.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 16.6 m -38.55 -38.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 70' ' ' GLN . 0.9 OUTLIER -69.58 -59.7 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.468 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 52.5 t60 -38.6 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' GLN . 11.2 mtt -78.73 -42.85 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 67' ' ' GLN . 5.3 pt20 -41.82 -39.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -55.32 -40.71 71.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -134.44 120.42 14.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 1.02 4.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -47.17 -27.46 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 76' ' ' LYS . 13.2 p90 -69.59 178.44 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 9.5 ttmm -73.34 130.72 40.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.9 t -99.89 -58.37 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.73 82.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.436 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.7 2.88 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.757 2.305 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.1 t -82.51 145.39 29.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -126.13 160.74 29.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.5 mtm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.755 0.312 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -100.09 -177.22 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.28 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.3 -48.55 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 70.4 mtp -54.99 -55.24 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 13' ' ' ASN . 59.1 t -50.13 -70.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.589 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.2 t90 -43.2 -34.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.56 -43.04 63.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -34.73 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' ALA . 28.8 t70 -91.77 -41.46 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -66.34 -56.8 9.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -38.16 -48.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -44.81 -46.59 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 6.5 ptt85 -63.66 -32.64 74.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.2 mt -70.19 -43.51 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.54 -49.83 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.4 pt20 -67.33 -34.98 78.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 38.6 mt-30 -71.46 -34.06 69.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.414 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.8 m-80 -131.7 83.96 56.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.55 18.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.1 -15.83 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 30' ' ' ASN . 23.1 mt -88.1 155.88 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.689 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.9 p-80 -118.19 170.02 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.2 m-20 -34.48 -69.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.29 -38.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.6 mm-40 -79.07 -43.9 23.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -59.26 -49.98 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.35 -56.48 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 mmtt -35.15 -33.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -90.35 -38.04 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.5 mt -63.72 -27.23 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.34 -54.19 4.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.11 -37.5 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 m -77.43 -29.07 52.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.412 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.7 t-105 -73.4 -69.58 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -42.62 -33.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.69 91.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 18' ' ' TRP . 64.1 mt -49.39 159.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 p -105.95 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.4 tm? -52.71 -59.15 4.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.411 ' N ' HD13 ' A' ' 51' ' ' LEU . . . -48.77 -32.46 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -74.98 -35.17 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 58' ' ' VAL . 41.2 mttp -86.48 -8.65 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.668 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.1 tpt180 -55.38 -51.01 83.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -28.82 24.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.458 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 37.2 m-85 -94.72 -8.15 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.6 t -95.78 -34.84 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.1 -9.67 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -94.83 -51.55 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.09 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.65 -31.26 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.449 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 5.0 mtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.754 0.312 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -91.88 -177.02 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.16 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.68 -47.53 66.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.5 mmm -57.98 -53.92 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 13' ' ' ASN . 91.6 t -50.73 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.2 t90 -53.92 -25.38 20.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -80.69 -35.31 33.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -40.79 -34.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 t70 -92.22 -48.68 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -56.4 -58.05 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HA ' HD21 ' A' ' 42' ' ' LEU . 9.6 ttm105 -39.26 -46.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -45.66 -47.33 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.9 ptm180 -63.63 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 29.5 mt -69.18 -44.3 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.88 -50.31 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.2 pt20 -66.26 -34.92 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 21.8 mt-30 -73.05 -32.23 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.435 ' CG ' HD12 ' A' ' 33' ' ' LEU . 73.1 m-80 -133.02 82.89 53.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.74 14.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -108.52 -18.2 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD12 ' CG ' ' A' ' 30' ' ' ASN . 29.9 mt -85.86 156.0 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.534 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 35.4 p-80 -118.55 170.99 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 38' ' ' LEU . 25.9 m120 -33.51 -71.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.534 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.06 -40.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' HIS . 25.6 mm-40 -76.87 -43.0 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.1 mt -60.23 -47.98 83.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.06 -55.25 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.6 mmtt -36.74 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.3 mtt -93.66 -35.02 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 19' ' ' ALA . 97.0 mt -66.92 -26.7 66.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.38 -54.12 4.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -53.64 -37.29 62.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 m -76.8 -29.73 56.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.474 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.5 t-105 -68.03 -69.65 0.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -44.83 -34.23 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.36 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.837 HD11 ' NE1' ' A' ' 18' ' ' TRP . 67.9 mt -55.59 154.06 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.4 p -101.8 164.97 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HH11 ' A' ' 55' ' ' ARG . 3.1 tm? -46.19 -56.3 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.0 -32.26 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.405 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.1 mm-40 -76.84 -31.4 56.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.3 mtpt -86.97 -9.26 56.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.774 HH11 HD11 ' A' ' 51' ' ' LEU . 3.7 tpt180 -55.74 -50.61 86.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.73 -29.13 24.5 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.0 m-85 -94.31 -9.35 36.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.7 t -94.8 -35.13 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.85 -14.09 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.91 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -49.51 -39.97 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.75 -47.87 83.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.653 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -95.97 -175.18 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.98 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -73.0 -48.76 33.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.417 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 41.4 mtp -57.95 -49.38 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 13' ' ' ASN . 94.2 t -55.28 -66.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.635 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.9 t90 -47.54 -35.5 9.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -70.67 -39.21 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -36.02 -35.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 34.9 t0 -88.84 -43.61 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -62.49 -57.62 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLU . 53.5 ttt-85 -38.06 -46.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -45.01 -48.0 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -66.74 -28.8 68.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 29.1 mt -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.57 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.3 pt20 -65.75 -37.12 85.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.9 mt-30 -69.93 -32.24 70.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.437 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.3 m-80 -134.02 83.44 45.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -6.7 19.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.758 2.305 . . . . 0.0 112.341 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -106.88 -16.84 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.437 HD12 ' CG ' ' A' ' 30' ' ' ASN . 24.4 mt -86.71 154.39 21.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.651 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 35.8 p-80 -116.54 170.63 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.4 t30 -34.55 -70.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.27 -38.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.9 mm-40 -79.07 -43.08 24.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.8 mt -59.03 -47.6 84.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.12 -53.88 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -38.44 -31.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.43 ' HE2' ' HA ' ' A' ' 38' ' ' LEU . 6.7 mtm -93.65 -32.08 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD13 ' HB1' ' A' ' 19' ' ' ALA . 95.9 mt -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.15 -46.9 6.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.04 -28.11 43.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.497 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.1 t-105 -72.69 -69.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -40.89 -30.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.03 -50.69 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD11 ' NE1' ' A' ' 18' ' ' TRP . 98.3 mt -42.64 155.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -107.83 170.23 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -46.07 -59.53 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.76 -30.84 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -77.92 -35.19 50.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.2 mttp -85.27 -9.7 57.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 2.0 tpt180 -55.03 -50.53 85.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.705 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.67 -32.2 19.44 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.6 m-85 -90.07 -12.05 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.0 t -92.49 -36.93 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.88 -16.76 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.76 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -38.79 -56.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -43.72 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.758 0.313 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.789 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 p30 -95.92 -174.51 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.31 76.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -59.97 -52.46 65.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 35.8 mmm -54.72 -60.13 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 13' ' ' ASN . 60.4 t -42.21 -69.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.675 ' NE1' HD11 ' A' ' 49' ' ' LEU . 4.3 t90 -47.74 -32.7 6.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' MET . . . -72.27 -35.11 68.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -41.54 -28.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.06 -51.39 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 1.8 mp0 -58.07 -56.82 17.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -38.23 -44.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -48.29 -46.66 36.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.4 ptm180 -66.66 -33.2 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 28.0 mt -66.08 -44.6 84.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -51.14 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.29 -35.25 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.648 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.2 m-80 -129.58 82.51 67.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -5.03 15.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -108.96 -17.85 13.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.648 HD12 ' CG ' ' A' ' 30' ' ' ASN . 52.1 mt -85.47 160.85 19.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.727 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 39.0 p-80 -121.1 170.73 9.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 14.4 t-20 -35.55 -66.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.727 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -38.31 -38.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.46 ' CG ' HD22 ' A' ' 33' ' ' LEU . 37.8 mm-40 -78.78 -42.31 28.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 16.5 mt -58.96 -48.71 80.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.18 -54.47 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.5 mmtm -36.96 -30.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.5 mtm -93.91 -34.91 12.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' SER . 81.8 mt -67.66 -24.81 65.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.08 -50.98 6.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -56.05 -35.67 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.312 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -78.87 -28.92 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.443 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.3 t-105 -68.07 -69.52 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -44.24 -38.04 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.96 83.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.675 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.4 mt -53.44 152.62 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.2 p -99.28 166.43 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.633 HD11 HH11 ' A' ' 55' ' ' ARG . 2.0 tm? -48.37 -54.2 14.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.08 -32.35 46.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mm-40 -75.26 -32.92 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.4 mttt -84.79 -10.39 57.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.8 tpt180 -55.79 -50.69 85.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.71 -29.05 24.72 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 33.1 m-85 -94.06 -9.86 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.8 t -95.0 -34.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -80.69 -11.68 59.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.64 -51.99 4.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -58.07 -32.21 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -59.46 -40.0 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -96.83 177.31 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.07 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 3.3 t80 -68.34 -39.47 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmm -66.93 -55.38 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 61' ' ' ALA . 85.3 t -48.52 -62.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 4.9 t90 -52.11 -31.51 31.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.79 -41.28 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.6 ptmm? -34.33 -35.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 24.5 t0 -92.51 -44.28 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -61.83 -58.68 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.2 ttp85 -41.07 -49.03 3.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -39.8 -44.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 5.6 ptt85 -70.56 -33.1 70.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' ARG . 21.1 mt -67.16 -46.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.33 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -60.68 -35.87 77.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.8 mt-30 -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.577 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.5 m-80 -130.56 82.58 64.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.674 0.75 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -6.32 18.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.258 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -107.22 -19.32 13.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 30' ' ' ASN . 49.3 mt -84.46 155.32 22.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.577 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.8 p-80 -118.12 171.39 8.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 50.7 m-20 -33.63 -70.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.21 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.4 mm-40 -77.82 -42.65 33.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -60.77 -50.39 73.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.4 -54.99 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.4 mmtm -35.37 -32.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.3 mtt -93.82 -36.94 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.7 mt -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.01 -57.38 4.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -50.51 -36.02 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -79.0 -32.02 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.545 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 68.2 t-105 -69.83 -68.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -45.03 -32.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.0 93.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD11 ' NE1' ' A' ' 18' ' ' TRP . 70.8 mt -58.28 150.51 21.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -100.14 167.03 10.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.6 tm? -45.45 -50.64 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -27.47 56.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' OE1' HD23 ' A' ' 49' ' ' LEU . 16.7 mt-10 -82.22 -34.62 28.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 58' ' ' VAL . 27.9 mtpt -87.71 -8.79 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.67 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.6 tpt180 -54.74 -50.86 83.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -30.97 21.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -92.04 -9.22 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.2 t -95.19 -34.45 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.83 -12.29 60.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -94.07 -54.82 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -55.34 -37.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -59.83 -40.92 90.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.2 mtm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.7 p30 -97.06 -174.52 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.32 -45.02 84.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.82 -51.47 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.426 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 35.2 mmm -55.55 -58.09 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ASN . 58.0 t -44.68 -69.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.0 t90 -45.17 -32.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -74.53 -36.27 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.0 ptmm? -36.44 -34.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 19' ' ' ALA . 36.5 t0 -93.02 -41.27 10.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -64.02 -58.02 7.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HA ' HD21 ' A' ' 42' ' ' LEU . 21.3 ttm180 -38.05 -51.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -44.55 -44.53 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.7 ptt85 -64.27 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 38' ' ' LEU . 25.9 mt -70.95 -45.11 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.8 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.3 pt20 -65.07 -34.44 78.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 22.6 mt-30 -75.04 -30.98 61.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.7 m-80 -133.67 83.3 48.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.719 2.279 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.37 -18.05 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 30' ' ' ASN . 32.9 mt -85.71 155.21 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.568 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 35.4 p-80 -117.85 171.1 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 16.2 t-20 -33.83 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.568 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.75 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.9 mm-40 -77.87 -41.74 35.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.512 ' HB3' HD12 ' A' ' 26' ' ' LEU . 13.1 mt -61.38 -48.63 80.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.08 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.4 mmtt -35.75 -30.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtt -94.74 -36.76 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.6 mt -65.0 -22.09 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -52.52 3.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -54.32 -33.8 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m -80.47 -30.78 37.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 66.2 t-105 -67.01 -68.5 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -45.34 -32.77 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.65 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 18' ' ' TRP . 90.1 mt -56.49 155.13 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 69.4 p -103.87 158.87 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -40.49 -55.69 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 -33.99 37.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 10.2 mm-40 -75.85 -28.16 58.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 35.9 mtpt -88.81 -9.7 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -55.42 -50.65 85.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.5 Cg_endo -69.81 -30.56 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 27.8 m-85 -92.04 -10.82 37.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.21 -36.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -79.25 -14.34 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -87.64 -52.65 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -57.18 -34.43 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.31 -39.95 80.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 4.3 mtm . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.803 0.335 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -95.93 -173.94 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.48 78.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.96 -50.2 67.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.449 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 88.6 mtp -53.79 -48.98 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 13' ' ' ASN . 56.3 t -58.85 -65.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.642 ' NE1' HD11 ' A' ' 49' ' ' LEU . 7.9 t90 -48.28 -30.13 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -70.74 -40.3 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -39.61 -32.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -92.68 -59.11 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -45.64 -57.71 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.6 ttp180 -39.02 -51.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -41.74 -42.68 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.8 ptm180 -69.64 -32.16 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 31.7 mt -69.41 -44.17 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.38 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.8 pt20 -64.63 -34.69 78.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.6 mt-30 -73.16 -35.15 66.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.581 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.3 m-80 -128.81 83.74 65.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.6 19.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.42 -16.87 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.581 HD12 ' CG ' ' A' ' 30' ' ' ASN . 41.5 mt -87.04 156.44 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.698 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 37.8 p-80 -118.37 170.85 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' LEU . 77.3 m-20 -34.97 -68.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.698 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -35.37 -38.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.8 mm-40 -79.37 -44.19 22.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 13.9 mt -57.92 -48.37 80.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.3 mmtm -37.12 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mtt -93.51 -34.67 13.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.562 HD13 ' HB1' ' A' ' 19' ' ' ALA . 84.0 mt -64.04 -25.6 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.49 -53.11 4.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -39.19 72.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 m -74.0 -29.2 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.428 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.0 t-105 -68.09 -69.61 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.87 -37.46 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.88 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.642 HD11 ' NE1' ' A' ' 18' ' ' TRP . 84.8 mt -51.28 159.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.92 169.64 8.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.53 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.1 tm? -49.58 -57.09 7.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.97 -32.08 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.32 -36.18 63.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 32.8 mttp -85.36 -9.63 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.671 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -54.88 -50.63 85.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.74 -31.82 19.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.69 -10.72 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 15.2 t -93.73 -38.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -76.4 -11.08 59.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -90.78 -59.21 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.77 -41.27 43.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.6 -58.42 6.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.409 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 2.1 mtm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.586 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -97.84 -174.04 2.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -42.4 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.81 -47.14 61.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.409 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 71.4 mtp -57.53 -51.37 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 13' ' ' ASN . 93.9 t -53.97 -64.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 5.8 t90 -50.31 -29.81 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -73.86 -36.64 64.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -39.92 -32.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 10.1 t70 -90.36 -51.03 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 4.2 mp0 -59.19 -58.42 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -38.32 -45.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -46.17 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 10.9 ptt180 -64.75 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 38' ' ' LEU . 24.8 mt -67.77 -44.75 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.84 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.0 pt20 -66.14 -36.25 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.8 mt-30 -72.03 -31.83 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.611 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.9 m-80 -133.32 82.65 52.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.21 18.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.54 -17.9 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.611 HD12 ' CG ' ' A' ' 30' ' ' ASN . 54.4 mt -86.15 156.29 20.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.586 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.6 p-80 -118.61 171.67 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -33.98 -70.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.586 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.33 -39.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' CD ' HD22 ' A' ' 33' ' ' LEU . 29.1 mm-40 -78.29 -42.5 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.4 mt -61.19 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.32 -55.01 5.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 27.4 mmtt -36.71 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.9 mtt -95.09 -34.8 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 92.3 mt -68.05 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.4 -51.04 5.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.528 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 45' ' ' SER . 58.2 pttt -53.27 -37.28 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.316 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 4.1 m -78.49 -31.3 47.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.799 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.436 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.49 -68.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -43.67 -37.78 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.09 91.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 ' NE1' ' A' ' 18' ' ' TRP . 85.9 mt -46.39 152.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.2 p -98.69 174.96 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.766 HD11 HH11 ' A' ' 55' ' ' ARG . 3.2 tm? -53.67 -53.75 47.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.65 51.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.507 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 22.3 mm-40 -75.53 -36.14 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 58' ' ' VAL . 49.5 mttt -84.62 -11.69 55.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.766 HH11 HD11 ' A' ' 51' ' ' LEU . 4.7 tpt180 -55.78 -50.16 88.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.75 -31.28 20.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 29.9 m-85 -90.93 -12.77 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.3 t -92.06 -37.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -91.09 -64.79 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -37.94 -58.98 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.1 tt0 -36.91 -64.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.759 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.9 p30 -95.58 -174.65 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.32 -47.43 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -62.02 -51.49 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 11.2 mtp -57.39 -59.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 13' ' ' ASN . 66.4 t -42.77 -68.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.841 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.0 t90 -50.48 -33.44 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -69.78 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -45.9 -24.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.82 -49.64 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.595 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 65.4 mm-40 -61.9 -55.57 28.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.536 ' N ' HD21 ' A' ' 42' ' ' LEU . 19.1 ttp180 -37.8 -52.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -43.39 -45.39 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.22 -34.06 77.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.5 mt -67.2 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.76 61.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -63.3 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.6 mt-30 -70.62 -31.8 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.613 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.3 m-80 -133.09 81.82 55.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.32 -18.66 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD12 ' CG ' ' A' ' 30' ' ' ASN . 54.1 mt -84.98 155.25 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.595 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 32.7 p-80 -117.73 172.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.6 m-20 -34.58 -70.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.595 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -33.73 -38.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.0 mm-40 -79.35 -43.44 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -61.34 -47.56 85.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -39.02 -65.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' SER . 20.4 mtmt -34.11 -47.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.414 ' HB2' HD13 ' A' ' 26' ' ' LEU . 13.9 mtm -69.71 -40.4 76.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.613 HD13 ' HB1' ' A' ' 19' ' ' ALA . 85.4 mt -66.75 -24.75 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -54.87 5.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 45' ' ' SER . 16.5 pttp -49.98 -41.45 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 12.2 m -74.63 -29.71 61.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.487 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -70.47 -68.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -42.19 -33.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.31 96.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.841 HD11 ' NE1' ' A' ' 18' ' ' TRP . 88.9 mt -54.94 146.65 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -97.24 170.6 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.42 -56.08 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -30.98 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 6.6 mm-40 -77.52 -34.2 54.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.0 mtpt -85.94 -9.5 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.669 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -54.65 -51.04 82.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.3 Cg_endo -69.72 -31.9 19.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.9 m-85 -90.26 -10.91 42.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 17.4 t -94.25 -34.3 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -81.47 -10.76 59.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -93.36 -52.22 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -56.35 -39.37 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -53.42 -38.27 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.484 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 2.0 mtm . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.792 0.329 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.532 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 1.8 p30 -101.64 179.42 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.2 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.01 -53.52 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.484 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 80.0 mtp -58.61 -62.03 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 61' ' ' ALA . 73.8 t -39.04 -61.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.581 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.3 t90 -58.52 -25.67 62.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -77.71 -32.37 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -44.51 -30.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -93.74 -46.19 7.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.5 mm-40 -61.96 -61.11 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 16.9 ttp85 -38.06 -47.93 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -41.57 -46.02 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.3 ptm180 -67.24 -32.87 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.445 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.0 mt -68.05 -45.87 72.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -50.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.62 -33.29 75.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.41 -32.32 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.556 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.7 m-80 -132.02 83.27 56.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.52 18.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -107.33 -17.18 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.556 HD12 ' CG ' ' A' ' 30' ' ' ASN . 40.0 mt -86.42 155.93 20.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.643 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 37.3 p-80 -118.45 171.3 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' LEU . 5.7 t-20 -34.86 -69.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.39 -38.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' CG ' HD22 ' A' ' 33' ' ' LEU . 12.8 mm-40 -79.82 -43.24 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' ASN . 16.3 mt -60.38 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -43.71 -55.67 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.9 mmtt -36.7 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.6 mtm -92.91 -35.36 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -67.68 -21.79 65.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.07 -49.62 4.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 45' ' ' SER . 11.7 ptpt -54.59 -37.51 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.326 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 6.6 m -78.23 -28.76 47.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.437 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 72.1 t-105 -72.89 -69.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -42.08 -34.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.78 97.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.49 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -52.38 160.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 p -106.93 176.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.9 tm? -54.1 -58.62 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.18 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.73 -35.49 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 24.4 mttp -86.1 -7.42 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -56.37 -50.8 85.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.545 0.688 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.3 Cg_endo -69.79 -28.16 25.43 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 42.4 m-85 -94.76 -11.13 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.4 t -93.01 -36.72 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.5 -10.94 59.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -95.6 -58.46 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -46.7 -46.05 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -49.12 -58.86 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.482 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 5.3 mtm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.691 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -87.71 -177.78 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.98 89.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.4 mmm -59.26 -54.75 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 13' ' ' ASN . 48.8 t -51.19 -68.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.659 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.9 t90 -46.63 -35.31 5.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -66.82 -36.3 82.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 1.1 ptmm? -42.92 -30.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 29.9 t0 -92.42 -25.08 18.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.9 mp0 -88.08 -60.03 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.591 ' N ' HD21 ' A' ' 42' ' ' LEU . 55.3 ttt-85 -46.38 -38.08 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 3.0 ptmt -62.03 -33.19 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.2 ptm180 -82.83 -14.16 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.69 -41.16 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.15 74.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.6 pt20 -68.32 -38.67 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 17.5 mt-30 -67.69 -33.37 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.3 m-80 -132.54 82.77 56.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -5.22 15.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.33 -17.14 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.522 HD12 ' CG ' ' A' ' 30' ' ' ASN . 36.9 mt -86.48 158.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.613 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 38.9 p-80 -120.72 169.75 10.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.5 m-20 -33.24 -70.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.83 -39.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' HIS . 54.2 mm-40 -77.74 -42.79 33.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -61.14 -50.73 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.37 -55.95 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.0 mmtt -35.08 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.7 mtt -88.72 -39.15 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD21 ' N ' ' A' ' 23' ' ' ARG . 67.7 mt -63.84 -25.95 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.97 -56.97 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -36.58 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.1 m -77.07 -31.39 56.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.445 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.4 t-105 -69.03 -69.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.03 -36.38 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.84 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD11 ' NE1' ' A' ' 18' ' ' TRP . 97.2 mt -58.98 157.53 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.5 167.08 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.695 HD11 HH11 ' A' ' 55' ' ' ARG . 2.2 tm? -45.66 -54.78 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.59 55.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.29 -34.42 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 58' ' ' VAL . 62.9 mttt -85.39 -9.36 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.695 HH11 HD11 ' A' ' 51' ' ' LEU . 4.3 tpt180 -55.7 -50.66 85.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.76 -29.13 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.0 m-85 -94.23 -9.39 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.5 t -94.67 -36.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.18 -11.38 59.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -90.69 -51.24 5.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -59.17 -27.0 65.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -68.02 -40.73 82.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.9 mtm . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.672 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 p-10 -92.6 -176.06 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.37 79.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -65.59 -48.29 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.452 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 73.3 mtp -58.01 -50.23 74.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 13' ' ' ASN . 93.4 t -54.95 -64.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.0 t90 -52.0 -30.83 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -72.07 -36.84 69.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -38.48 -36.83 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.17 -57.64 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -43.64 -56.33 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.545 ' HA ' HD21 ' A' ' 42' ' ' LEU . 12.7 ttt-85 -41.26 -51.17 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -40.48 -40.39 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.2 ptt85 -70.06 -34.43 73.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 41' ' ' MET . 17.1 mt -66.04 -47.02 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.53 -56.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.2 pt20 -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 7.5 mt-30 -73.5 -29.17 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.793 ' CG ' HD12 ' A' ' 33' ' ' LEU . 33.3 m120 -134.84 82.83 42.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -108.39 -19.64 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 30' ' ' ASN . 86.0 mt -83.65 151.71 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.695 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 40.4 p-80 -112.99 170.18 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.2 m120 -35.87 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.695 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -33.6 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' HD22 ' A' ' 33' ' ' LEU . 20.7 mm-40 -80.73 -43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -61.25 -43.2 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -44.05 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' SER . 9.1 mttm -33.87 -43.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.554 ' HB2' HD13 ' A' ' 26' ' ' LEU . 20.7 mtm -68.44 -45.13 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.767 HD13 ' HB1' ' A' ' 19' ' ' ALA . 76.1 mt -61.66 -23.08 65.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.84 -57.78 4.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -51.02 -35.87 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 m -77.96 -30.67 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.628 ' HZ2' ' HZ3' ' A' ' 54' ' ' LYS . 65.8 t-105 -70.12 -69.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -44.08 -32.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 ' NE1' ' A' ' 18' ' ' TRP . 85.3 mt -57.37 152.6 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.4 p -98.98 170.83 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD11 HH11 ' A' ' 55' ' ' ARG . 2.3 tm? -49.55 -57.3 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.97 -33.08 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.88 -34.15 64.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.3 mtpm? -87.08 -7.42 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.706 HH11 HD11 ' A' ' 51' ' ' LEU . 4.2 tpt180 -55.94 -50.64 86.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.1 Cg_endo -69.81 -28.34 25.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.303 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 41.2 m-85 -95.19 -9.32 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.6 t -94.4 -37.52 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.03 -10.23 59.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -93.23 -50.35 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -59.19 -30.73 68.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.56 -40.63 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.485 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.0 mtm . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.818 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -106.06 -174.28 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.41 -43.76 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.44 -53.2 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.485 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 84.1 mtp -54.67 -59.71 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 13' ' ' ASN . 38.9 t -43.77 -70.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 t90 -42.42 -39.74 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -66.66 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' NZ ' ' CE ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -36.84 -34.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -93.64 -45.16 7.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mm-40 -61.1 -58.26 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' GLU . 34.8 ttt180 -38.03 -48.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -45.84 -46.67 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.39 -28.78 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.2 mt -70.89 -44.3 66.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.06 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.4 pt20 -65.02 -33.93 77.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.4 mt-30 -74.65 -30.82 61.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -134.33 83.34 44.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -4.95 15.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -108.26 -18.46 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD22 ' CD ' ' A' ' 37' ' ' GLU . 23.0 mt -85.52 157.94 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.98 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.0 p80 -122.17 172.6 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -32.56 -72.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.98 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -35.96 -40.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' CD ' HD22 ' A' ' 33' ' ' LEU . 10.2 mm-40 -76.0 -40.0 54.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 16.2 mt -63.54 -48.76 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.97 -55.09 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.1 mmtt -36.23 -30.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.507 ' HE3' ' HA ' ' A' ' 38' ' ' LEU . 7.1 mtm -93.38 -36.62 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.7 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.19 -56.8 3.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -34.66 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.1 m -79.89 -29.32 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.46 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 64.5 t-105 -68.12 -69.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -44.8 -38.94 4.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.45 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' NE1' ' A' ' 18' ' ' TRP . 76.4 mt -60.09 159.92 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -108.04 171.31 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.2 -59.28 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.02 -31.82 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -76.43 -34.23 58.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.5 mtpt -86.63 -8.61 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.671 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -55.2 -50.87 84.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.71 -30.95 21.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.378 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.423 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 40.0 m-85 -91.55 -10.79 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.35 -37.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.24 -12.87 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -90.16 -58.95 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -50.34 -41.0 50.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.68 -36.73 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.417 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.8 mtm . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -99.39 -173.83 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.24 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.78 -50.74 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.2 mtp -56.59 -54.5 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 13' ' ' ASN . 82.4 t -50.13 -68.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.593 ' NE1' HD11 ' A' ' 49' ' ' LEU . 5.7 t90 -46.94 -33.1 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -75.2 -31.13 60.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -38.81 -36.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -93.17 -44.06 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 16.6 mm-40 -58.46 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.479 ' N ' HD21 ' A' ' 42' ' ' LEU . 47.1 ttt180 -41.04 -45.2 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -47.94 -40.94 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' NH1' HD21 ' A' ' 26' ' ' LEU . 4.6 ptt-85 -72.08 -26.35 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 ' HB2' ' A' ' 41' ' ' MET . 21.6 mt -71.85 -44.09 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.0 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.1 pt20 -66.26 -37.41 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 11.3 mt-30 -70.16 -32.1 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.511 ' CG ' HD12 ' A' ' 33' ' ' LEU . 35.0 m120 -132.7 83.98 51.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.37 18.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.56 -16.79 14.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD12 ' CG ' ' A' ' 30' ' ' ASN . 37.7 mt -87.85 149.96 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.933 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 12.2 p80 -110.76 170.92 7.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 58.7 t30 -37.1 -69.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.933 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.05 -36.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ASN . 77.9 mm-40 -81.93 -43.12 18.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 12.5 mt -60.98 -42.75 98.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -43.81 -65.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.1 mttt -34.05 -40.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 38' ' ' LEU . 16.9 mtm -71.36 -45.19 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' SER . 37.7 mt -64.23 -24.31 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -55.68 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -50.71 -39.92 52.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.7 m -75.61 -32.23 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.466 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.62 -69.48 0.31 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -42.73 -36.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.08 90.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.593 HD11 ' NE1' ' A' ' 18' ' ' TRP . 92.4 mt -55.72 152.45 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 165.2 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.479 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.1 tm? -42.66 -60.0 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.4 -34.16 6.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mt-10 -73.07 -36.38 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 23.4 mttp -84.96 -10.08 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.7 tpt180 -54.64 -50.83 83.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.75 -32.26 18.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.9 m-85 -90.04 -10.61 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.1 t -93.75 -36.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.54 -10.72 59.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -94.35 -60.6 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -45.58 -47.31 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.14 -59.57 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 mtm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.801 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.1 p30 -93.36 -174.39 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.7 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.07 -52.37 66.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 30.1 mmm -55.56 -60.48 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 13' ' ' ASN . 59.6 t -42.12 -69.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.798 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.1 t90 -47.8 -33.2 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -71.21 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -44.61 -31.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -93.96 -19.93 20.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -89.45 -60.93 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.608 ' N ' HD21 ' A' ' 42' ' ' LEU . 49.4 ttt-85 -45.31 -40.52 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 6.4 ptmt -57.11 -34.34 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -81.24 -15.91 54.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt -80.84 -40.5 24.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.71 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -68.11 -38.68 82.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 25.6 mt-30 -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.479 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.7 m-80 -133.73 83.0 48.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -6.07 17.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.74 -15.96 14.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 30' ' ' ASN . 31.6 mt -88.18 155.14 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.63 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.4 p-80 -117.48 172.36 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 47.5 m-20 -35.18 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.63 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.39 -37.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 9.1 mm-40 -80.34 -43.7 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.7 mt -59.38 -49.17 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.51 -55.35 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.0 mmtt -36.49 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.9 mtm -91.52 -36.42 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 23' ' ' ARG . 83.8 mt -69.42 -20.96 63.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.57 -46.61 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -61.09 -38.18 85.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -76.09 -30.94 58.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.2 t-105 -67.08 -69.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -44.59 -37.45 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.06 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.798 HD11 ' NE1' ' A' ' 18' ' ' TRP . 86.5 mt -53.83 163.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.0 p -111.93 159.15 18.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.644 HD11 HH11 ' A' ' 55' ' ' ARG . 2.2 tm? -40.68 -55.46 2.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.09 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 28.9 mm-40 -75.52 -32.67 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 71.4 mttt -84.72 -9.86 57.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.67 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -56.93 -50.96 85.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.1 Cg_endo -69.75 -25.37 28.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 30.5 m-85 -98.33 -9.71 24.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.9 t -95.31 -32.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.35 -12.19 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.32 -50.12 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -58.81 -33.36 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.91 -36.36 79.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.472 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 1.8 mtm . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.744 0.307 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -102.28 -179.08 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.86 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -63.24 -51.54 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.6 mtp -54.71 -56.25 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 13' ' ' ASN . 57.7 t -52.06 -63.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.946 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.9 t90 -49.24 -32.84 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -71.49 -39.26 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.5 ptmm? -35.98 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.2 t0 -89.5 -45.93 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 21.3 mm-40 -60.19 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' HD21 ' A' ' 42' ' ' LEU . 52.1 ttt-85 -38.79 -46.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -47.42 -46.99 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -28.88 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 36.1 mt -70.02 -45.29 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.66 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.3 pt20 -67.77 -37.52 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 29.0 mt-30 -68.75 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.2 83.42 50.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -4.59 14.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.5 -18.43 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.56 HD22 ' CD ' ' A' ' 37' ' ' GLU . 24.0 mt -85.95 158.45 19.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.779 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 52.8 p-80 -122.01 172.94 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -32.75 -72.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.779 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -36.78 -40.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.56 ' CD ' HD22 ' A' ' 33' ' ' LEU . 10.7 mm-40 -76.04 -38.98 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 14.7 mt -64.05 -47.49 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.39 -54.89 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.4 mmtt -36.98 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.491 ' HE3' ' HA ' ' A' ' 38' ' ' LEU . 7.0 mtm -94.3 -34.46 12.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.2 mt -65.86 -27.84 68.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.01 -55.3 4.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -50.73 -36.13 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -78.66 -30.29 46.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.483 ' CE3' HD12 ' A' ' 49' ' ' LEU . 64.6 t-105 -68.81 -69.16 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -46.01 -29.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.21 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.946 HD11 ' NE1' ' A' ' 18' ' ' TRP . 83.8 mt -57.18 157.28 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 p -100.08 176.6 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.818 HD11 HH11 ' A' ' 55' ' ' ARG . 2.5 tm? -56.54 -56.87 15.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.82 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.31 -34.87 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 58' ' ' VAL . 59.6 mttt -87.06 -8.38 57.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.818 HH11 HD11 ' A' ' 51' ' ' LEU . 4.8 tpt180 -57.05 -50.67 86.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -25.73 28.4 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.8 m-85 -98.25 -9.4 25.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.3 t -94.62 -35.46 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.16 -11.25 59.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -95.86 -60.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -45.31 -42.66 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.21 -61.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.421 ' HE3' ' HA ' ' A' ' 17' ' ' VAL . 3.6 mtm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.715 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.73 -173.39 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -42.88 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.79 -49.65 56.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.412 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 46.2 mmm -56.75 -52.8 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 13' ' ' ASN . 92.4 t -51.01 -61.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.5 t90 -55.77 -26.84 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -73.9 -41.8 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.3 ptmt -35.06 -34.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ALA . 29.2 t70 -92.2 -61.35 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -42.56 -56.74 2.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HA ' HD21 ' A' ' 42' ' ' LEU . 31.5 ttm180 -42.25 -47.55 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.04 -43.87 7.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -66.85 -32.77 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 38' ' ' LEU . 21.4 mt -66.9 -41.95 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.06 -51.07 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.93 -30.91 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -78.65 -30.27 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.547 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.7 m-80 -134.89 83.21 41.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.374 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.36 -17.76 14.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD12 ' CG ' ' A' ' 30' ' ' ASN . 35.7 mt -85.67 155.57 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.622 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 38.0 p-80 -117.95 170.71 8.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 3.0 t30 -34.2 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.14 -39.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' HD22 ' A' ' 33' ' ' LEU . 29.4 mm-40 -79.05 -43.65 23.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 26' ' ' LEU . 14.3 mt -57.85 -49.07 77.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.13 -54.99 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.5 mmtp -36.63 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtm -94.34 -35.29 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.543 HD13 ' HB1' ' A' ' 19' ' ' ALA . 94.0 mt -65.05 -23.44 67.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.79 -51.33 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 45' ' ' SER . 20.4 pttp -54.99 -37.86 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.0 m -76.23 -30.72 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 65.7 t-105 -68.39 -69.58 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -46.14 -35.58 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.07 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.508 HD11 ' NE1' ' A' ' 18' ' ' TRP . 72.2 mt -52.3 154.29 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.5 p -93.07 177.44 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 HH11 ' A' ' 55' ' ' ARG . 2.0 tm? -58.89 -56.23 24.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -27.09 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.0 mtpt -85.83 -7.83 58.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 5.6 tpt180 -57.25 -50.66 86.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.8 -24.91 28.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.16 -9.77 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 10.6 t -93.97 -37.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -75.75 -11.04 59.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -92.1 -59.72 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.57 -35.25 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -65.42 -37.47 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.511 ' HA ' ' HE2' ' A' ' 16' ' ' MET . 10.3 mtm . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.766 0.317 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.884 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -95.78 -175.77 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.46 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.77 -51.02 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.511 ' HE2' ' HA ' ' A' ' 12' ' ' MET . 6.9 mtm -61.54 -47.2 86.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 13' ' ' ASN . 69.3 t -52.89 -58.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.707 ' NE1' HD11 ' A' ' 49' ' ' LEU . 1.3 t90 -59.56 -26.69 65.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -74.94 -41.16 60.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' ALA . 1.9 ptmm? -34.2 -33.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' ALA . 27.3 t70 -91.59 -41.74 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 8.6 mm-40 -66.62 -56.83 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 14.8 ttp-105 -37.81 -55.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -39.57 -45.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.9 ptt85 -66.35 -33.92 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ARG . 24.5 mt -66.84 -43.62 83.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -53.04 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -62.38 -33.33 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.8 mt-30 -75.09 -32.95 61.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.581 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.1 m-80 -131.67 82.68 60.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.09 17.77 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.53 -18.56 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.581 HD12 ' CG ' ' A' ' 30' ' ' ASN . 50.5 mt -85.68 156.98 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.539 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.2 p-80 -119.21 172.44 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.9 t-20 -34.13 -70.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.539 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.98 -40.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.3 mm-40 -76.85 -41.71 42.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.8 mt -61.82 -48.92 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.0 -55.32 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.6 mmtt -35.88 -30.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.7 mtt -93.97 -37.09 11.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 75.5 mt -66.45 -23.64 66.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.36 -54.4 3.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -55.71 -36.43 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 m -77.73 -29.45 51.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 59.4 t-105 -68.37 -69.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -46.46 -33.66 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.31 82.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.707 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.6 mt -56.2 155.41 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 p -102.57 160.5 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD11 HH11 ' A' ' 55' ' ' ARG . 2.7 tm? -40.86 -58.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.18 11.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' THR . 20.6 mt-10 -78.45 -32.65 48.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 34.1 mtpt -87.0 -9.18 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.737 HH11 HD11 ' A' ' 51' ' ' LEU . 4.6 tpt180 -55.51 -50.27 87.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.73 -31.24 21.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.512 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.5 m-85 -91.47 -11.8 36.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.7 t -92.08 -38.33 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.88 -16.34 61.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.92 -59.03 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.46 -36.43 22.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.69 -46.27 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -91.01 -176.92 4.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.14 85.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -68.9 -46.22 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.418 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 23.8 mtp -58.38 -51.49 69.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 13' ' ' ASN . 85.9 t -51.88 -69.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.624 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.0 t90 -48.24 -35.61 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -70.74 -35.46 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.1 ptmm? -41.55 -36.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.463 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.8 t70 -89.84 -23.19 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.598 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.0 mm-40 -83.37 -60.91 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HB2' HD11 ' A' ' 42' ' ' LEU . 25.9 ttp180 -44.94 -46.0 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -47.72 -36.48 11.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 ptt85 -77.9 -22.24 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 38' ' ' LEU . 40.1 mt -75.45 -37.67 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.67 76.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -66.49 -40.04 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.5 mt-30 -66.39 -38.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.542 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.1 m-80 -126.97 82.89 67.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.89 -17.2 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.542 HD12 ' CG ' ' A' ' 30' ' ' ASN . 35.8 mt -86.03 157.01 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.736 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.6 p-80 -119.07 170.6 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 34.7 m120 -34.23 -68.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.736 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -36.19 -39.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.1 mm-40 -77.64 -43.6 30.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' HD12 ' A' ' 26' ' ' LEU . 14.1 mt -59.15 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.13 -53.04 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -38.34 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtm -94.95 -32.63 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 23' ' ' ARG . 66.7 mt -72.38 -21.87 61.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.2 -49.79 4.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -58.18 -36.2 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.92 -27.39 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.2 t-105 -71.61 -69.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -44.94 -34.34 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.22 81.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.624 HD11 ' NE1' ' A' ' 18' ' ' TRP . 61.4 mt -54.63 152.96 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLU . 17.0 p -104.93 164.55 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -41.03 -57.2 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.41 45.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.5 mt-10 -76.8 -36.58 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.8 mttt -85.28 -10.25 56.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.675 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -54.48 -50.6 84.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.74 -32.67 18.18 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.1 m-85 -89.89 -10.32 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.7 t -93.77 -37.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -75.92 -13.71 60.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -87.8 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -46.05 -55.68 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -39.3 -57.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 3.7 mtm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.74 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 p30 -95.11 -174.35 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -46.85 79.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -61.86 -51.84 66.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.0 mmm -55.58 -58.54 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 13' ' ' ASN . 78.2 t -43.74 -69.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.803 ' NE1' HD11 ' A' ' 49' ' ' LEU . 1.7 t90 -48.77 -37.53 19.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -65.34 -36.25 83.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -41.59 -31.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 9.9 t70 -89.89 -28.01 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mp0 -83.4 -59.63 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.695 ' N ' HD21 ' A' ' 42' ' ' LEU . 24.1 ttp85 -46.71 -44.86 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 2.7 ptmt -52.8 -31.82 40.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -85.0 -13.47 50.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 38' ' ' LEU . 47.5 mt -82.72 -38.89 22.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.64 72.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -67.65 -39.1 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 15.9 mt-30 -66.8 -31.54 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.517 ' CG ' HD12 ' A' ' 33' ' ' LEU . 73.0 m-80 -134.77 82.75 43.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -5.75 16.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -108.08 -15.39 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 30' ' ' ASN . 41.5 mt -89.37 155.98 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.656 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 36.8 p-80 -118.16 171.33 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 65.3 m-80 -34.72 -68.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -35.87 -39.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CD ' HD22 ' A' ' 33' ' ' LEU . 11.5 mm-40 -78.63 -44.25 24.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 13.8 mt -58.32 -49.43 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.35 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.6 mmtp -35.89 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.1 mtm -92.92 -37.11 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.695 HD21 ' N ' ' A' ' 23' ' ' ARG . 75.7 mt -66.0 -25.33 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.98 -53.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.457 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -54.08 -33.4 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -81.28 -31.59 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CE3' HD12 ' A' ' 49' ' ' LEU . 67.2 t-105 -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -45.5 -34.72 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.803 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -58.04 151.29 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.5 p -98.23 167.38 10.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.898 HD11 HH11 ' A' ' 55' ' ' ARG . 2.4 tm? -49.04 -54.92 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.95 -32.16 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 43.6 mm-40 -75.84 -31.89 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.6 mttp -84.47 -10.94 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.898 HH11 HD11 ' A' ' 51' ' ' LEU . 3.6 tpt180 -57.14 -50.54 87.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -26.24 27.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 29.6 m-85 -97.09 -11.11 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 54' ' ' LYS . 15.0 t -94.12 -31.75 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.07 -13.89 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -90.84 -58.54 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -51.53 -32.76 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -63.97 -35.17 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -102.82 97.34 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -111.33 86.68 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.35 -136.44 5.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -91.84 153.41 19.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 p -135.4 169.52 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.91 148.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -84.77 140.76 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -93.8 -51.64 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -119.41 152.21 52.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.857 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 161.05 47.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.5 mtm -126.31 159.03 34.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -100.09 -177.22 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.28 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.3 -48.55 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 70.4 mtp -54.99 -55.24 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 13' ' ' ASN . 59.1 t -50.13 -70.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.589 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.2 t90 -43.2 -34.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.56 -43.04 63.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -34.73 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' ALA . 28.8 t70 -91.77 -41.46 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -66.34 -56.8 9.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -38.16 -48.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -44.81 -46.59 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 6.5 ptt85 -63.66 -32.64 74.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.2 mt -70.19 -43.51 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.54 -49.83 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.4 pt20 -67.33 -34.98 78.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 38.6 mt-30 -71.46 -34.06 69.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.8 m-80 -131.7 83.96 56.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.55 18.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.1 -15.83 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 30' ' ' ASN . 23.1 mt -88.1 155.88 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.689 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.9 p-80 -118.19 170.02 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.2 m-20 -34.48 -69.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.29 -38.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.6 mm-40 -79.07 -43.9 23.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -59.26 -49.98 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.35 -56.48 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 mmtt -35.15 -33.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -90.35 -38.04 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.5 mt -63.72 -27.23 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.34 -54.19 4.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.11 -37.5 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 m -77.43 -29.07 52.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.412 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.7 t-105 -73.4 -69.58 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -42.62 -33.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.69 91.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 18' ' ' TRP . 64.1 mt -49.39 159.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 p -105.95 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.509 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.4 tm? -52.71 -59.15 4.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.411 ' N ' HD13 ' A' ' 51' ' ' LEU . . . -48.77 -32.46 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -74.98 -35.17 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 58' ' ' VAL . 41.2 mttp -86.48 -8.65 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.668 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.1 tpt180 -55.38 -51.01 83.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -28.82 24.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.458 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 37.2 m-85 -94.72 -8.15 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.6 t -95.78 -34.84 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.1 -9.67 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -94.83 -51.55 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.09 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.65 -31.26 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -77.46 -37.6 51.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 mt -67.26 -39.96 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -64.92 -57.68 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -47.39 -31.7 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' MET . 27.3 mt-30 -64.43 -61.42 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -42.2 -24.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.517 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 5.7 mtt -81.17 -41.6 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 67' ' ' GLN . 6.6 pt20 -47.63 -38.28 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -36.13 76.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -142.39 121.57 7.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 53.5 Cg_endo -69.75 4.0 2.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -75.81 49.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.662 ' CD1' ' N ' ' A' ' 76' ' ' LYS . 44.5 p90 -127.33 -52.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.662 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -174.93 119.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.0 t -148.41 128.99 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.4 83.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.88 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -103.08 147.88 26.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.7 p -158.12 151.74 23.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -154.23 146.34 23.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -114.36 161.97 17.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.76 -118.43 0.97 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -94.47 106.8 18.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -113.69 -17.01 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.37 171.31 13.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.13 99.26 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -61.31 -63.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -113.52 149.16 41.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.6 Cg_endo -69.82 -170.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.246 . . . . 0.0 112.326 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.449 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 5.0 mtm -148.6 151.78 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.3 OUTLIER -91.88 -177.02 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.16 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.68 -47.53 66.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 36.5 mmm -57.98 -53.92 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 13' ' ' ASN . 91.6 t -50.73 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.2 t90 -53.92 -25.38 20.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -80.69 -35.31 33.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -40.79 -34.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 t70 -92.22 -48.68 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -56.4 -58.05 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HA ' HD21 ' A' ' 42' ' ' LEU . 9.6 ttm105 -39.26 -46.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -45.66 -47.33 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.9 ptm180 -63.63 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 29.5 mt -69.18 -44.3 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.88 -50.31 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.2 pt20 -66.26 -34.92 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 21.8 mt-30 -73.05 -32.23 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.435 ' CG ' HD12 ' A' ' 33' ' ' LEU . 73.1 m-80 -133.02 82.89 53.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.74 14.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -108.52 -18.2 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD12 ' CG ' ' A' ' 30' ' ' ASN . 29.9 mt -85.86 156.0 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.534 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 35.4 p-80 -118.55 170.99 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 38' ' ' LEU . 25.9 m120 -33.51 -71.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.534 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.06 -40.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' HIS . 25.6 mm-40 -76.87 -43.0 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.1 mt -60.23 -47.98 83.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.06 -55.25 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.6 mmtt -36.74 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.3 mtt -93.66 -35.02 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 19' ' ' ALA . 97.0 mt -66.92 -26.7 66.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.38 -54.12 4.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -53.64 -37.29 62.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 m -76.8 -29.73 56.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.474 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.5 t-105 -68.03 -69.65 0.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -44.83 -34.23 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.36 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.837 HD11 ' NE1' ' A' ' 18' ' ' TRP . 67.9 mt -55.59 154.06 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.4 p -101.8 164.97 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HH11 ' A' ' 55' ' ' ARG . 3.1 tm? -46.19 -56.3 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.0 -32.26 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.405 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.1 mm-40 -76.84 -31.4 56.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.3 mtpt -86.97 -9.26 56.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.774 HH11 HD11 ' A' ' 51' ' ' LEU . 3.7 tpt180 -55.74 -50.61 86.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.73 -29.13 24.5 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.0 m-85 -94.31 -9.35 36.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.7 t -94.8 -35.13 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.85 -14.09 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.91 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -49.51 -39.97 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.86 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.7 tt0 -59.75 -47.87 83.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' C ' HG22 ' A' ' 66' ' ' VAL . 63.4 mtp85 -58.78 -25.64 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 mt -81.62 -61.87 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.14 -45.45 65.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 62' ' ' GLU . 26.3 m -54.92 -47.77 75.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.569 ' N ' HG23 ' A' ' 66' ' ' VAL . 62.5 mt-30 -73.14 -15.96 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.502 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 13.1 t60 -78.09 -30.42 49.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.545 ' SD ' ' CG ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -102.04 -28.36 12.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -42.17 -34.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -41.4 81.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -124.27 112.51 28.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 79.88 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -135.02 -34.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.545 ' CG ' ' SD ' ' A' ' 69' ' ' MET . 22.8 p90 -42.06 161.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -50.94 177.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -154.91 117.69 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.67 -171.76 34.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -45.94 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.8 m -78.07 159.22 28.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -66.08 127.47 32.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -116.51 86.02 2.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -100.47 93.27 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.46 147.8 14.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -169.38 118.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -96.61 118.84 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.18 -179.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -114.18 127.12 71.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.125 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 4.8 ptp180 -93.26 21.9 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -153.49 154.12 30.06 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.738 . . . . 0.0 110.836 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.7 Cg_endo -69.8 158.53 56.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.362 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm -125.14 147.7 48.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.653 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -95.97 -175.18 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.98 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -73.0 -48.76 33.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.417 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 41.4 mtp -57.95 -49.38 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 13' ' ' ASN . 94.2 t -55.28 -66.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.635 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.9 t90 -47.54 -35.5 9.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -70.67 -39.21 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -36.02 -35.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 34.9 t0 -88.84 -43.61 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -62.49 -57.62 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLU . 53.5 ttt-85 -38.06 -46.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -45.01 -48.0 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -66.74 -28.8 68.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 29.1 mt -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.57 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.3 pt20 -65.75 -37.12 85.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.9 mt-30 -69.93 -32.24 70.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.437 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.3 m-80 -134.02 83.44 45.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -6.7 19.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.758 2.305 . . . . 0.0 112.341 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -106.88 -16.84 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD12 ' CG ' ' A' ' 30' ' ' ASN . 24.4 mt -86.71 154.39 21.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.651 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 35.8 p-80 -116.54 170.63 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.4 t30 -34.55 -70.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.651 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.27 -38.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.9 mm-40 -79.07 -43.08 24.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.8 mt -59.03 -47.6 84.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.12 -53.88 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -38.44 -31.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.43 ' HE2' ' HA ' ' A' ' 38' ' ' LEU . 6.7 mtm -93.65 -32.08 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD13 ' HB1' ' A' ' 19' ' ' ALA . 95.9 mt -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.15 -46.9 6.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.04 -28.11 43.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.497 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.1 t-105 -72.69 -69.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -40.89 -30.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.03 -50.69 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD11 ' NE1' ' A' ' 18' ' ' TRP . 98.3 mt -42.64 155.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -107.83 170.23 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -46.07 -59.53 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.76 -30.84 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -77.92 -35.19 50.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.2 mttp -85.27 -9.7 57.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 2.0 tpt180 -55.03 -50.53 85.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.705 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.67 -32.2 19.44 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.6 m-85 -90.07 -12.05 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.0 t -92.49 -36.93 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.88 -16.76 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.76 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -38.79 -56.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.714 ' O ' HG13 ' A' ' 66' ' ' VAL . 25.8 tt0 -43.72 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' C ' HG22 ' A' ' 66' ' ' VAL . 21.6 mtp85 -46.83 -23.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 mt -90.54 -63.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -32.68 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 62' ' ' GLU . 30.4 m -67.0 -39.43 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 66' ' ' VAL . 43.1 mt-30 -64.05 -12.36 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.404 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 50.3 t60 -93.4 -37.53 11.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 41.2 mtm -72.94 -44.16 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -55.39 -33.77 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -59.96 -31.5 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -144.21 121.88 6.7 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.607 0.718 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 -1.62 8.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -41.45 -54.07 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -38.96 156.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.11 103.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -98.73 130.91 45.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.97 -177.93 52.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.08 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.3 t -116.89 117.82 30.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 t -39.28 -48.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.547 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -151.08 109.24 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -81.29 148.6 29.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.0 131.6 6.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.534 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -90.75 168.88 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -94.38 141.74 28.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.48 -172.35 42.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.3 mp -92.6 122.49 44.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.853 0.358 . . . . 0.0 111.101 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' CB ' ' HD3' ' A' ' 10' ' ' ARG . 55.4 mtt180 -56.13 -57.61 11.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HD3' ' CB ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -147.03 148.99 34.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.71 59.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -122.04 152.51 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.789 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 p30 -95.92 -174.51 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.31 76.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -59.97 -52.46 65.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 35.8 mmm -54.72 -60.13 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 13' ' ' ASN . 60.4 t -42.21 -69.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.675 ' NE1' HD11 ' A' ' 49' ' ' LEU . 4.3 t90 -47.74 -32.7 6.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' MET . . . -72.27 -35.11 68.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -41.54 -28.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.06 -51.39 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 1.8 mp0 -58.07 -56.82 17.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -38.23 -44.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -48.29 -46.66 36.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.4 ptm180 -66.66 -33.2 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 28.0 mt -66.08 -44.6 84.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -51.14 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.29 -35.25 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.648 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.2 m-80 -129.58 82.51 67.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -5.03 15.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -108.96 -17.85 13.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.648 HD12 ' CG ' ' A' ' 30' ' ' ASN . 52.1 mt -85.47 160.85 19.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.727 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 39.0 p-80 -121.1 170.73 9.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 14.4 t-20 -35.55 -66.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.727 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -38.31 -38.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.46 ' CG ' HD22 ' A' ' 33' ' ' LEU . 37.8 mm-40 -78.78 -42.31 28.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 16.5 mt -58.96 -48.71 80.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.18 -54.47 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.5 mmtm -36.96 -30.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.5 mtm -93.91 -34.91 12.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' SER . 81.8 mt -67.66 -24.81 65.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.08 -50.98 6.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -56.05 -35.67 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.312 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -78.87 -28.92 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.443 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.3 t-105 -68.07 -69.52 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -44.24 -38.04 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.96 83.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.675 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.4 mt -53.44 152.62 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.2 p -99.28 166.43 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.633 HD11 HH11 ' A' ' 55' ' ' ARG . 2.0 tm? -48.37 -54.2 14.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.08 -32.35 46.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mm-40 -75.26 -32.92 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.4 mttt -84.79 -10.39 57.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.8 tpt180 -55.79 -50.69 85.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.71 -29.05 24.72 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 33.1 m-85 -94.06 -9.86 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.8 t -95.0 -34.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -80.69 -11.68 59.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.64 -51.99 4.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -58.07 -32.21 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -59.46 -40.0 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -72.0 -47.04 54.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.27 -27.43 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -73.49 -57.4 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 19.6 m -58.19 -24.81 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -67.5 -23.81 65.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 80.7 t60 -86.69 -36.91 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -74.42 -36.72 63.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -64.09 -35.55 81.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.34 -32.08 73.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 68' ' ' HIS . 3.3 p80 -145.06 121.44 6.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 53.6 Cg_endo -69.77 0.47 5.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -38.99 -48.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 36.9 p90 -47.65 156.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -44.21 146.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -163.33 166.2 23.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -171.09 -93.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.67 33.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.6 m -113.06 -43.83 3.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.4 t -85.09 125.88 33.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.81 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -81.86 89.56 6.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 p -163.01 135.77 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.11 -92.4 2.0 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -165.44 122.47 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 110.817 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -147.85 129.9 15.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.01 -162.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 9' ' ' ARG . 12.6 mt -117.83 157.18 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 111.11 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.4 mmp_? -81.29 -49.0 11.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -110.08 156.22 40.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' CG ' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.75 176.7 6.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 mtm -141.19 155.62 46.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -96.83 177.31 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.07 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 3.3 t80 -68.34 -39.47 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 26.5 mmm -66.93 -55.38 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 61' ' ' ALA . 85.3 t -48.52 -62.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 4.9 t90 -52.11 -31.51 31.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.79 -41.28 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.6 ptmm? -34.33 -35.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 24.5 t0 -92.51 -44.28 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -61.83 -58.68 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.2 ttp85 -41.07 -49.03 3.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -39.8 -44.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 5.6 ptt85 -70.56 -33.1 70.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' ARG . 21.1 mt -67.16 -46.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.33 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -60.68 -35.87 77.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.8 mt-30 -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.577 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.5 m-80 -130.56 82.58 64.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.674 0.75 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -6.32 18.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.258 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -107.22 -19.32 13.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 30' ' ' ASN . 49.3 mt -84.46 155.32 22.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.577 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.8 p-80 -118.12 171.39 8.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 50.7 m-20 -33.63 -70.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.577 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.21 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.4 mm-40 -77.82 -42.65 33.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -60.77 -50.39 73.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.4 -54.99 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.4 mmtm -35.37 -32.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.3 mtt -93.82 -36.94 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.7 mt -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.01 -57.38 4.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -50.51 -36.02 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -79.0 -32.02 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.545 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 68.2 t-105 -69.83 -68.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -45.03 -32.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.0 93.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD11 ' NE1' ' A' ' 18' ' ' TRP . 70.8 mt -58.28 150.51 21.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -100.14 167.03 10.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.545 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.6 tm? -45.45 -50.64 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -27.47 56.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' OE1' HD23 ' A' ' 49' ' ' LEU . 16.7 mt-10 -82.22 -34.62 28.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 58' ' ' VAL . 27.9 mtpt -87.71 -8.79 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.67 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.6 tpt180 -54.74 -50.86 83.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -30.97 21.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -92.04 -9.22 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.2 t -95.19 -34.45 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.83 -12.29 60.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -94.07 -54.82 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -55.34 -37.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -59.83 -40.92 90.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' O ' HG22 ' A' ' 66' ' ' VAL . 62.6 mtt180 -65.82 -44.48 85.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.8 -42.77 98.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -60.37 -53.76 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG23 ' CD ' ' A' ' 67' ' ' GLN . 23.0 m -59.55 -40.2 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.617 HE21 ' HA ' ' A' ' 67' ' ' GLN . 0.0 OUTLIER -63.45 -21.48 66.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HD3' ' A' ' 11' ' ' PRO . 83.7 t60 -84.49 -40.94 17.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 mtm -71.71 -39.08 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.535 ' OE1' ' NE2' ' A' ' 67' ' ' GLN . 11.7 pt20 -59.43 -35.85 74.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 7.9 t70 -61.28 -33.45 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -141.25 120.34 8.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.61 0.719 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 3.09 2.93 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -47.87 -43.77 28.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 76' ' ' LYS . 17.7 p90 -50.88 -52.15 44.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 31.0 mtmt -166.02 144.0 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 t -174.95 131.27 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.04 179.29 38.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 81' ' ' SER . 53.8 Cg_endo -69.74 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.366 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.4 m -40.43 92.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 79' ' ' PRO . 5.0 t -41.39 -56.64 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -140.95 178.15 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.836 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -72.29 -63.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.95 -49.63 0.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -108.09 157.52 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -168.94 168.83 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.47 178.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.83 141.16 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -92.82 -29.01 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -153.41 150.34 23.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.838 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.71 -177.21 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.2 mtm -146.39 153.35 40.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.7 p30 -97.06 -174.52 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.32 -45.02 84.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.82 -51.47 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.426 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 35.2 mmm -55.55 -58.09 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ASN . 58.0 t -44.68 -69.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.0 t90 -45.17 -32.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -74.53 -36.27 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.0 ptmm? -36.44 -34.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 19' ' ' ALA . 36.5 t0 -93.02 -41.27 10.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -64.02 -58.02 7.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HA ' HD21 ' A' ' 42' ' ' LEU . 21.3 ttm180 -38.05 -51.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -44.55 -44.53 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.7 ptt85 -64.27 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 38' ' ' LEU . 25.9 mt -70.95 -45.11 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.8 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.3 pt20 -65.07 -34.44 78.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 22.6 mt-30 -75.04 -30.98 61.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.7 m-80 -133.67 83.3 48.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.719 2.279 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.37 -18.05 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 30' ' ' ASN . 32.9 mt -85.71 155.21 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.568 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 35.4 p-80 -117.85 171.1 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 16.2 t-20 -33.83 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.568 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.75 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.9 mm-40 -77.87 -41.74 35.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' HB3' HD12 ' A' ' 26' ' ' LEU . 13.1 mt -61.38 -48.63 80.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.08 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.4 mmtt -35.75 -30.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtt -94.74 -36.76 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.6 mt -65.0 -22.09 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -52.52 3.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -54.32 -33.8 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m -80.47 -30.78 37.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 66.2 t-105 -67.01 -68.5 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -45.34 -32.77 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.65 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 18' ' ' TRP . 90.1 mt -56.49 155.13 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 69.4 p -103.87 158.87 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -40.49 -55.69 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 -33.99 37.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 10.2 mm-40 -75.85 -28.16 58.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 35.9 mtpt -88.81 -9.7 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -55.42 -50.65 85.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.5 Cg_endo -69.81 -30.56 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 27.8 m-85 -92.04 -10.82 37.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.21 -36.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -79.25 -14.34 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -87.64 -52.65 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -57.18 -34.43 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.31 -39.95 80.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 26.7 mtp85 -70.27 -42.08 72.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.6 mt -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -58.94 -56.39 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 15.8 m -55.69 -36.31 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -65.3 -16.26 63.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' ND1' ' HD3' ' A' ' 11' ' ' PRO . 63.3 t60 -97.14 -33.92 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 45.4 mtm -70.61 -48.78 53.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -51.29 -32.38 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.43 -32.64 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 68' ' ' HIS . 3.2 p80 -141.71 120.6 7.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.66 0.743 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.541 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 53.9 Cg_endo -69.72 -5.79 17.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -42.6 -35.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 73' ' ' PRO . 2.0 p90 -44.93 170.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -74.46 -34.92 63.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.447 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 2.1 m -171.03 168.65 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.92 -157.99 8.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 86.12 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t -99.37 90.99 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -140.16 147.65 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.3 m -67.23 82.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 35.4 t 34.63 41.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.0 -83.81 0.28 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t 56.66 43.33 25.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 m -72.52 132.75 44.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.42 147.84 8.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mp -124.88 121.72 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -59.47 -59.83 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.3 155.56 79.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.824 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 179.57 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.222 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 4.3 mtm -140.33 154.13 46.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -95.93 -173.94 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.48 78.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.96 -50.2 67.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.449 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 88.6 mtp -53.79 -48.98 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 13' ' ' ASN . 56.3 t -58.85 -65.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.642 ' NE1' HD11 ' A' ' 49' ' ' LEU . 7.9 t90 -48.28 -30.13 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -70.74 -40.3 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -39.61 -32.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -92.68 -59.11 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -45.64 -57.71 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.6 ttp180 -39.02 -51.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -41.74 -42.68 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.8 ptm180 -69.64 -32.16 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 31.7 mt -69.41 -44.17 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.38 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.8 pt20 -64.63 -34.69 78.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.6 mt-30 -73.16 -35.15 66.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.581 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.3 m-80 -128.81 83.74 65.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.6 19.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.42 -16.87 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.581 HD12 ' CG ' ' A' ' 30' ' ' ASN . 41.5 mt -87.04 156.44 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.698 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 37.8 p-80 -118.37 170.85 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' LEU . 77.3 m-20 -34.97 -68.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.698 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -35.37 -38.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.8 mm-40 -79.37 -44.19 22.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 13.9 mt -57.92 -48.37 80.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.3 mmtm -37.12 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mtt -93.51 -34.67 13.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.562 HD13 ' HB1' ' A' ' 19' ' ' ALA . 84.0 mt -64.04 -25.6 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.49 -53.11 4.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -39.19 72.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 m -74.0 -29.2 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.0 t-105 -68.09 -69.61 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.87 -37.46 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.88 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.642 HD11 ' NE1' ' A' ' 18' ' ' TRP . 84.8 mt -51.28 159.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.92 169.64 8.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.1 tm? -49.58 -57.09 7.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.97 -32.08 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.32 -36.18 63.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 32.8 mttp -85.36 -9.63 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.671 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -54.88 -50.63 85.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.74 -31.82 19.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.69 -10.72 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 15.2 t -93.73 -38.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -76.4 -11.08 59.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -90.78 -59.21 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.77 -41.27 43.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.6 -58.42 6.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -47.99 -42.78 28.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.26 -46.11 81.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -58.35 -58.81 6.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' HA ' ' CG ' ' A' ' 69' ' ' MET . 27.5 m -55.88 -29.6 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -75.94 -13.68 60.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -96.07 -36.33 11.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.429 ' CG ' ' HA ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -81.2 -27.26 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -59.44 -35.17 73.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.78 -27.87 69.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -149.19 119.68 4.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -0.43 6.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.396 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -54.99 -16.59 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CG ' ' N ' ' A' ' 76' ' ' LYS . 12.8 p90 -72.59 -53.67 11.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 8.1 mtpt -172.91 104.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 78' ' ' GLY . 1.5 m -134.97 98.4 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 77' ' ' SER . . . 36.05 61.54 0.78 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -16.74 37.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -118.49 -55.46 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.8 m -161.55 159.16 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -82.98 -50.0 9.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 m -37.85 154.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.53 86.49 0.1 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -78.74 155.48 29.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 m -126.69 95.94 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.83 152.82 5.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 mt -134.17 143.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 12.2 ttm180 -63.55 -37.34 86.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -117.62 154.21 50.74 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.416 ' C ' ' HG2' ' A' ' 12' ' ' MET . 54.3 Cg_endo -69.72 -171.52 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.416 ' HG2' ' C ' ' A' ' 11' ' ' PRO . 2.1 mtm -144.51 146.98 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.586 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -97.84 -174.04 2.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -42.4 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.81 -47.14 61.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.409 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 71.4 mtp -57.53 -51.37 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 13' ' ' ASN . 93.9 t -53.97 -64.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 5.8 t90 -50.31 -29.81 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -73.86 -36.64 64.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -39.92 -32.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 10.1 t70 -90.36 -51.03 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 4.2 mp0 -59.19 -58.42 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -38.32 -45.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -46.17 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 10.9 ptt180 -64.75 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 38' ' ' LEU . 24.8 mt -67.77 -44.75 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.84 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.0 pt20 -66.14 -36.25 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.8 mt-30 -72.03 -31.83 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.611 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.9 m-80 -133.32 82.65 52.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.21 18.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.54 -17.9 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.611 HD12 ' CG ' ' A' ' 30' ' ' ASN . 54.4 mt -86.15 156.29 20.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.586 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.6 p-80 -118.61 171.67 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -33.98 -70.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.586 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.33 -39.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' CD ' HD22 ' A' ' 33' ' ' LEU . 29.1 mm-40 -78.29 -42.5 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.4 mt -61.19 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.32 -55.01 5.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 27.4 mmtt -36.71 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.9 mtt -95.09 -34.8 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 92.3 mt -68.05 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.4 -51.04 5.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.528 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 45' ' ' SER . 58.2 pttt -53.27 -37.28 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.316 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 4.1 m -78.49 -31.3 47.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.799 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.436 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.49 -68.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -43.67 -37.78 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.09 91.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 ' NE1' ' A' ' 18' ' ' TRP . 85.9 mt -46.39 152.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.2 p -98.69 174.96 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.766 HD11 HH11 ' A' ' 55' ' ' ARG . 3.2 tm? -53.67 -53.75 47.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.65 51.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.507 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 22.3 mm-40 -75.53 -36.14 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 58' ' ' VAL . 49.5 mttt -84.62 -11.69 55.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.766 HH11 HD11 ' A' ' 51' ' ' LEU . 4.7 tpt180 -55.78 -50.16 88.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.75 -31.28 20.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 29.9 m-85 -90.93 -12.77 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.3 t -92.06 -37.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -91.09 -64.79 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -37.94 -58.98 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 66' ' ' VAL . 9.1 tt0 -36.91 -64.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' O ' HG22 ' A' ' 66' ' ' VAL . 37.4 mtp180 -43.62 -34.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 61' ' ' ALA . 7.8 mt -79.56 -56.72 4.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -50.46 -35.14 27.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' ARG . 22.1 m -75.05 -26.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -72.56 -21.45 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -84.63 -45.37 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 mtm -68.33 -44.91 74.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -56.6 -29.79 62.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.24 -22.65 64.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -152.66 120.85 3.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 4.54 2.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -75.7 48.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.491 ' CG ' ' N ' ' A' ' 76' ' ' LYS . 42.4 p90 -134.19 -51.56 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 4.4 mtmp? -167.38 105.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -164.12 119.91 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.82 144.04 5.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 128.1 15.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' SER . 46.8 m -97.08 95.04 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' SER . 44.9 m 37.75 39.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -122.92 96.65 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -86.32 92.73 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.13 -127.74 45.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -153.85 138.63 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -159.25 156.13 28.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.46 -136.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.7 mt -130.85 131.43 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HD3' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -83.38 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' CD ' ' HD3' ' A' ' 9' ' ' ARG . 38.4 mmm-85 -114.84 151.35 45.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 173.58 10.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -134.34 143.12 47.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.759 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.9 p30 -95.58 -174.65 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.32 -47.43 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -62.02 -51.49 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 11.2 mtp -57.39 -59.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 13' ' ' ASN . 66.4 t -42.77 -68.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.841 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.0 t90 -50.48 -33.44 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -69.78 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -45.9 -24.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.82 -49.64 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.595 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 65.4 mm-40 -61.9 -55.57 28.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' N ' HD21 ' A' ' 42' ' ' LEU . 19.1 ttp180 -37.8 -52.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -43.39 -45.39 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.22 -34.06 77.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.5 mt -67.2 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.76 61.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -63.3 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.6 mt-30 -70.62 -31.8 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.613 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.3 m-80 -133.09 81.82 55.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.32 -18.66 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD12 ' CG ' ' A' ' 30' ' ' ASN . 54.1 mt -84.98 155.25 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.595 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 32.7 p-80 -117.73 172.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.6 m-20 -34.58 -70.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.595 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -33.73 -38.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.0 mm-40 -79.35 -43.44 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -61.34 -47.56 85.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -39.02 -65.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' SER . 20.4 mtmt -34.11 -47.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.414 ' HB2' HD13 ' A' ' 26' ' ' LEU . 13.9 mtm -69.71 -40.4 76.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.613 HD13 ' HB1' ' A' ' 19' ' ' ALA . 85.4 mt -66.75 -24.75 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -54.87 5.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 45' ' ' SER . 16.5 pttp -49.98 -41.45 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 12.2 m -74.63 -29.71 61.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.487 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -70.47 -68.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -42.19 -33.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.31 96.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.841 HD11 ' NE1' ' A' ' 18' ' ' TRP . 88.9 mt -54.94 146.65 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -97.24 170.6 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.42 -56.08 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -30.98 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 6.6 mm-40 -77.52 -34.2 54.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.0 mtpt -85.94 -9.5 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.669 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -54.65 -51.04 82.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.3 Cg_endo -69.72 -31.9 19.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.9 m-85 -90.26 -10.91 42.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 17.4 t -94.25 -34.3 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -81.47 -10.76 59.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -93.36 -52.22 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -56.35 -39.37 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -53.42 -38.27 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -72.15 -39.51 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -65.21 -41.23 94.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -61.01 -53.23 59.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 m -60.95 -31.48 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -65.14 -23.8 67.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -84.1 -35.68 23.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 mtm -72.49 -42.93 64.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.17 -34.28 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -62.65 -33.83 75.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -144.76 121.18 6.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.72 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.522 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 53.4 Cg_endo -69.77 -0.45 6.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.9 m120 -36.46 -48.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.522 ' CE2' ' HA ' ' A' ' 73' ' ' PRO . 51.9 p90 -46.38 169.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -72.79 96.17 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -54.38 118.94 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.76 146.26 10.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 156.77 62.48 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' SER . 1.9 m -74.55 176.78 6.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' SER . 1.8 m 37.4 48.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' GLY . 25.9 m 35.84 36.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -95.81 -52.05 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.16 148.02 23.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 p -163.96 151.24 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -92.72 -64.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' C ' HD12 ' A' ' 8' ' ' ILE . . . -91.61 -133.75 6.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.5 mp -133.43 143.72 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' ILE . 51.8 mtm-85 -34.19 -64.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' N ' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -175.42 162.8 2.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.723 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 172.19 13.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.484 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 2.0 mtm -144.69 157.86 44.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.532 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 1.8 p30 -101.64 179.42 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.2 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.01 -53.52 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.484 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 80.0 mtp -58.61 -62.03 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 61' ' ' ALA . 73.8 t -39.04 -61.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.581 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.3 t90 -58.52 -25.67 62.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -77.71 -32.37 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -44.51 -30.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -93.74 -46.19 7.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.5 mm-40 -61.96 -61.11 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 16.9 ttp85 -38.06 -47.93 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -41.57 -46.02 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.3 ptm180 -67.24 -32.87 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.0 mt -68.05 -45.87 72.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -50.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.62 -33.29 75.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.41 -32.32 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.556 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.7 m-80 -132.02 83.27 56.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.52 18.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -107.33 -17.18 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.556 HD12 ' CG ' ' A' ' 30' ' ' ASN . 40.0 mt -86.42 155.93 20.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.643 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 37.3 p-80 -118.45 171.3 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' LEU . 5.7 t-20 -34.86 -69.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.643 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.39 -38.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' CG ' HD22 ' A' ' 33' ' ' LEU . 12.8 mm-40 -79.82 -43.24 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' ASN . 16.3 mt -60.38 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -43.71 -55.67 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.9 mmtt -36.7 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.6 mtm -92.91 -35.36 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -67.68 -21.79 65.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.07 -49.62 4.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 45' ' ' SER . 11.7 ptpt -54.59 -37.51 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.326 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 6.6 m -78.23 -28.76 47.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.437 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 72.1 t-105 -72.89 -69.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -42.08 -34.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.78 97.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.49 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -52.38 160.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 p -106.93 176.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' C ' HD13 ' A' ' 51' ' ' LEU . 2.9 tm? -54.1 -58.62 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.18 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.73 -35.49 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 24.4 mttp -86.1 -7.42 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -56.37 -50.8 85.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.545 0.688 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.3 Cg_endo -69.79 -28.16 25.43 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 42.4 m-85 -94.76 -11.13 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.4 t -93.01 -36.72 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.5 -10.94 59.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -95.6 -58.46 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -46.7 -46.05 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -49.12 -58.86 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -48.23 -49.16 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.02 -48.72 75.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -56.51 -59.73 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.03 -30.57 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -69.68 -23.51 63.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -86.93 -38.22 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.58 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 18.5 mtm -71.31 -40.8 70.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -55.71 -30.81 61.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -61.92 -19.78 63.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -152.87 121.07 3.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 77' ' ' SER . 53.5 Cg_endo -69.79 5.2 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.329 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 75' ' ' TYR . 5.1 m120 -51.08 -70.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.595 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 1.4 p90 -32.99 -54.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.595 ' HG2' ' CD2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -178.62 127.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 73' ' ' PRO . 21.7 p -133.2 86.69 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.73 -158.39 14.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 111.22 2.75 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.8 p -61.66 117.45 5.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -123.98 156.21 36.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 1' ' ' GLY . 27.1 p -36.38 -55.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -85.54 -54.4 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.31 94.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -88.3 93.06 9.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -134.5 175.87 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.57 -144.26 11.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.5 mt -129.37 109.81 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -74.23 -40.87 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.45 149.89 66.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HG3' ' CB ' ' A' ' 68' ' ' HIS . 53.3 Cg_endo -69.79 172.61 12.35 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.248 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.482 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 5.3 mtm -136.42 144.62 44.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.691 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -87.71 -177.78 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.98 89.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.4 mmm -59.26 -54.75 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 13' ' ' ASN . 48.8 t -51.19 -68.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.659 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.9 t90 -46.63 -35.31 5.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -66.82 -36.3 82.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 1.1 ptmm? -42.92 -30.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 29.9 t0 -92.42 -25.08 18.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.9 mp0 -88.08 -60.03 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.591 ' N ' HD21 ' A' ' 42' ' ' LEU . 55.3 ttt-85 -46.38 -38.08 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 3.0 ptmt -62.03 -33.19 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.2 ptm180 -82.83 -14.16 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.69 -41.16 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.15 74.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.6 pt20 -68.32 -38.67 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 17.5 mt-30 -67.69 -33.37 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.3 m-80 -132.54 82.77 56.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -5.22 15.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.33 -17.14 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.522 HD12 ' CG ' ' A' ' 30' ' ' ASN . 36.9 mt -86.48 158.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.613 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 38.9 p-80 -120.72 169.75 10.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.5 m-20 -33.24 -70.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.613 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.83 -39.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' HIS . 54.2 mm-40 -77.74 -42.79 33.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -61.14 -50.73 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.37 -55.95 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.0 mmtt -35.08 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.7 mtt -88.72 -39.15 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD21 ' N ' ' A' ' 23' ' ' ARG . 67.7 mt -63.84 -25.95 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.97 -56.97 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -36.58 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.1 m -77.07 -31.39 56.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.445 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.4 t-105 -69.03 -69.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.03 -36.38 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.84 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD11 ' NE1' ' A' ' 18' ' ' TRP . 97.2 mt -58.98 157.53 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.5 167.08 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.695 HD11 HH11 ' A' ' 55' ' ' ARG . 2.2 tm? -45.66 -54.78 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.59 55.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.29 -34.42 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 58' ' ' VAL . 62.9 mttt -85.39 -9.36 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.695 HH11 HD11 ' A' ' 51' ' ' LEU . 4.3 tpt180 -55.7 -50.66 85.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.76 -29.13 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.0 m-85 -94.23 -9.39 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.5 t -94.67 -36.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.18 -11.38 59.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -90.69 -51.24 5.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -59.17 -27.0 65.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.871 ' O ' HG13 ' A' ' 66' ' ' VAL . 11.4 tt0 -68.02 -40.73 82.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 59.5 mtp85 -68.48 -38.25 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -76.49 -39.88 51.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' HA ' ' CB ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -64.01 -43.06 96.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.871 HG13 ' O ' ' A' ' 62' ' ' GLU . 18.5 m -66.32 -24.8 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -73.06 -15.64 61.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 58.9 t60 -89.66 -39.27 13.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.5 mtm -73.72 -39.47 64.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 17.2 pt20 -56.36 -39.0 72.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 3.5 m-20 -58.57 -39.62 80.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -136.76 120.68 12.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 54.0 Cg_endo -69.76 0.81 5.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.241 . . . . 0.0 112.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -47.48 -35.67 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 30.9 p90 -52.88 138.23 30.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -49.49 147.33 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 t 64.41 38.82 7.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.78 -84.76 0.45 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.1 22.54 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.698 2.266 . . . . 0.0 112.377 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 p -170.0 142.31 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.0 t -127.47 82.06 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -111.93 40.98 2.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p 40.16 42.13 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.84 -140.14 1.09 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -113.09 160.73 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.392 . . . . 0.0 110.821 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -96.58 165.61 12.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' C ' HD13 ' A' ' 8' ' ' ILE . . . 124.03 139.01 5.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.461 HD13 ' C ' ' A' ' 7' ' ' GLY . 5.0 mm -101.07 150.1 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 111.082 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.58 -41.87 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 1.2 mpt_? -99.17 155.27 36.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.816 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HD3' ' CG ' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.82 154.56 67.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.357 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.9 mtm -119.63 151.41 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.672 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 p-10 -92.6 -176.06 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.37 79.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -65.59 -48.29 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.452 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 73.3 mtp -58.01 -50.23 74.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 13' ' ' ASN . 93.4 t -54.95 -64.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.0 t90 -52.0 -30.83 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -72.07 -36.84 69.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -38.48 -36.83 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.17 -57.64 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -43.64 -56.33 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.545 ' HA ' HD21 ' A' ' 42' ' ' LEU . 12.7 ttt-85 -41.26 -51.17 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -40.48 -40.39 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.2 ptt85 -70.06 -34.43 73.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 41' ' ' MET . 17.1 mt -66.04 -47.02 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.53 -56.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.2 pt20 -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 7.5 mt-30 -73.5 -29.17 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.793 ' CG ' HD12 ' A' ' 33' ' ' LEU . 33.3 m120 -134.84 82.83 42.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -108.39 -19.64 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 30' ' ' ASN . 86.0 mt -83.65 151.71 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.695 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 40.4 p-80 -112.99 170.18 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.2 m120 -35.87 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.695 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -33.6 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' HD22 ' A' ' 33' ' ' LEU . 20.7 mm-40 -80.73 -43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -61.25 -43.2 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -44.05 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' SER . 9.1 mttm -33.87 -43.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.554 ' HB2' HD13 ' A' ' 26' ' ' LEU . 20.7 mtm -68.44 -45.13 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.767 HD13 ' HB1' ' A' ' 19' ' ' ALA . 76.1 mt -61.66 -23.08 65.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.84 -57.78 4.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -51.02 -35.87 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 m -77.96 -30.67 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.628 ' HZ2' ' HZ3' ' A' ' 54' ' ' LYS . 65.8 t-105 -70.12 -69.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -44.08 -32.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 ' NE1' ' A' ' 18' ' ' TRP . 85.3 mt -57.37 152.6 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.4 p -98.98 170.83 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD11 HH11 ' A' ' 55' ' ' ARG . 2.3 tm? -49.55 -57.3 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.97 -33.08 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.88 -34.15 64.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.3 mtpm? -87.08 -7.42 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.706 HH11 HD11 ' A' ' 51' ' ' LEU . 4.2 tpt180 -55.94 -50.64 86.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.1 Cg_endo -69.81 -28.34 25.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.303 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 41.2 m-85 -95.19 -9.32 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.6 t -94.4 -37.52 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.03 -10.23 59.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -93.23 -50.35 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -59.19 -30.73 68.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.56 -40.63 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -65.98 -39.71 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.59 -28.93 67.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 66' ' ' VAL . 6.1 ttm180 -72.15 -56.01 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 11.3 m -56.66 -27.13 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' GLN . 45.9 mt-30 -69.91 -56.88 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.521 ' CG ' ' HD3' ' A' ' 11' ' ' PRO . 80.1 t60 -41.93 -26.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.575 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 52.1 mtt -79.63 -41.38 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' GLN . 5.5 pt20 -45.21 -35.56 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.93 -38.56 86.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -138.28 120.84 10.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.75 3.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -51.5 -33.6 32.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 69' ' ' MET . 7.8 p90 -62.51 -49.09 76.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 19.7 mtmt -157.96 140.1 14.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 t -171.35 154.85 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.63 88.27 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.89 3.1 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.759 2.306 . . . . 0.0 112.33 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.6 m -63.04 125.39 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 m -109.81 -45.06 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -82.72 168.13 17.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 m -98.49 -54.84 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.52 161.02 28.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -100.85 148.29 25.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.907 0.384 . . . . 0.0 110.801 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -62.97 166.42 5.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.7 -175.21 30.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -128.3 139.18 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -58.56 -51.86 68.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 9' ' ' ARG . 21.4 mmm-85 -107.73 151.54 41.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.4 Cg_endo -69.8 177.72 5.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.485 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.0 mtm -139.62 163.12 33.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.818 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -106.06 -174.28 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.41 -43.76 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.44 -53.2 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.485 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 84.1 mtp -54.67 -59.71 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 13' ' ' ASN . 38.9 t -43.77 -70.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 t90 -42.42 -39.74 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -66.66 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' NZ ' ' CE ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -36.84 -34.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -93.64 -45.16 7.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mm-40 -61.1 -58.26 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' GLU . 34.8 ttt180 -38.03 -48.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -45.84 -46.67 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.39 -28.78 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.2 mt -70.89 -44.3 66.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.06 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.4 pt20 -65.02 -33.93 77.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.4 mt-30 -74.65 -30.82 61.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -134.33 83.34 44.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -4.95 15.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -108.26 -18.46 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD22 ' CD ' ' A' ' 37' ' ' GLU . 23.0 mt -85.52 157.94 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.98 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.0 p80 -122.17 172.6 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -32.56 -72.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.98 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -35.96 -40.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' CD ' HD22 ' A' ' 33' ' ' LEU . 10.2 mm-40 -76.0 -40.0 54.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 16.2 mt -63.54 -48.76 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.97 -55.09 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.1 mmtt -36.23 -30.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.507 ' HE3' ' HA ' ' A' ' 38' ' ' LEU . 7.1 mtm -93.38 -36.62 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.7 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.19 -56.8 3.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -34.66 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.1 m -79.89 -29.32 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.46 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 64.5 t-105 -68.12 -69.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -44.8 -38.94 4.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.45 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' NE1' ' A' ' 18' ' ' TRP . 76.4 mt -60.09 159.92 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -108.04 171.31 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.2 -59.28 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.02 -31.82 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -76.43 -34.23 58.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.5 mtpt -86.63 -8.61 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.671 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -55.2 -50.87 84.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.71 -30.95 21.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.378 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.423 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 40.0 m-85 -91.55 -10.79 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.35 -37.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.24 -12.87 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -90.16 -58.95 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -50.34 -41.0 50.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.68 -36.73 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -69.67 -37.9 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.55 -40.46 84.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -63.42 -56.4 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.44 ' HA ' ' CG ' ' A' ' 69' ' ' MET . 24.1 m -54.5 -34.38 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.24 -14.15 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 29.4 t60 -95.13 -43.07 8.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.44 ' CG ' ' HA ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -72.52 -27.19 62.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 15.1 pt20 -67.4 -37.07 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 76.5 m-20 -61.06 -27.85 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -145.37 119.98 5.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.536 0.684 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 0.1 6.14 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -43.14 -42.83 4.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 76' ' ' LYS . 15.7 p90 -54.63 162.01 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -69.38 174.23 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.466 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 32.7 p -144.27 147.9 34.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.19 -166.4 10.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 143.94 52.16 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 p -91.47 -49.19 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -48.28 130.92 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 56.68 44.19 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -113.16 105.96 14.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.07 -166.72 26.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -132.85 133.21 43.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.383 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -138.76 163.07 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.59 -160.71 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mt -120.05 135.3 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' CG ' ' HD3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -61.35 -53.41 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HD3' ' CG ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -154.23 151.22 23.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 163.24 39.05 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.417 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.8 mtm -122.61 151.68 41.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -99.39 -173.83 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.24 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.78 -50.74 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.2 mtp -56.59 -54.5 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 13' ' ' ASN . 82.4 t -50.13 -68.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.593 ' NE1' HD11 ' A' ' 49' ' ' LEU . 5.7 t90 -46.94 -33.1 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -75.2 -31.13 60.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -38.81 -36.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -93.17 -44.06 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 16.6 mm-40 -58.46 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.479 ' N ' HD21 ' A' ' 42' ' ' LEU . 47.1 ttt180 -41.04 -45.2 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -47.94 -40.94 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' NH1' HD21 ' A' ' 26' ' ' LEU . 4.6 ptt-85 -72.08 -26.35 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 ' HB2' ' A' ' 41' ' ' MET . 21.6 mt -71.85 -44.09 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.0 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.1 pt20 -66.26 -37.41 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 11.3 mt-30 -70.16 -32.1 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.511 ' CG ' HD12 ' A' ' 33' ' ' LEU . 35.0 m120 -132.7 83.98 51.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.37 18.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.56 -16.79 14.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD12 ' CG ' ' A' ' 30' ' ' ASN . 37.7 mt -87.85 149.96 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.933 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 12.2 p80 -110.76 170.92 7.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 58.7 t30 -37.1 -69.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.933 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.05 -36.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ASN . 77.9 mm-40 -81.93 -43.12 18.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.519 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 12.5 mt -60.98 -42.75 98.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -43.81 -65.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.1 mttt -34.05 -40.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.519 ' HE2' ' HA ' ' A' ' 38' ' ' LEU . 16.9 mtm -71.36 -45.19 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' SER . 37.7 mt -64.23 -24.31 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -55.68 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -50.71 -39.92 52.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.7 m -75.61 -32.23 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.466 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.62 -69.48 0.31 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -42.73 -36.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.08 90.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.593 HD11 ' NE1' ' A' ' 18' ' ' TRP . 92.4 mt -55.72 152.45 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 165.2 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.479 ' C ' HD13 ' A' ' 51' ' ' LEU . 3.1 tm? -42.66 -60.0 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.4 -34.16 6.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mt-10 -73.07 -36.38 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 23.4 mttp -84.96 -10.08 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.7 tpt180 -54.64 -50.83 83.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.75 -32.26 18.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.9 m-85 -90.04 -10.61 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.1 t -93.75 -36.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.54 -10.72 59.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -94.35 -60.6 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -45.58 -47.31 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.14 -59.57 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' O ' HG22 ' A' ' 66' ' ' VAL . 70.0 mtt180 -47.38 -47.04 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.5 -44.34 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -60.45 -63.2 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 63' ' ' ARG . 23.0 m -44.98 -33.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 70' ' ' GLN . 50.7 mt-30 -65.84 -61.59 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -39.67 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.589 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 39.5 mtt -80.64 -41.81 23.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 67' ' ' GLN . 5.7 pt20 -44.1 -33.22 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -63.2 -39.31 94.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -137.8 120.16 11.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.521 0.677 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.83 2.53 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.83 -25.28 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.589 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 10.0 p90 -66.98 -51.35 56.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -176.45 147.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.3 t -174.62 106.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.06 -101.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 142.03 46.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.264 . . . . 0.0 112.328 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -70.09 -53.95 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 t 47.7 44.8 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -78.7 166.31 22.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -138.38 159.28 42.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.24 50.73 0.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 m -150.55 142.83 24.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -78.06 -44.15 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.59 -131.06 1.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.762 HG22 ' H ' ' A' ' 10' ' ' ARG . 20.4 mm -121.46 142.8 36.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 111.143 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -96.94 12.45 32.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.762 ' H ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -139.57 151.8 67.26 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.933 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 177.35 5.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 mtm -139.85 149.34 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.801 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.1 p30 -93.36 -174.39 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.7 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.07 -52.37 66.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 30.1 mmm -55.56 -60.48 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 13' ' ' ASN . 59.6 t -42.12 -69.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.798 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.1 t90 -47.8 -33.2 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -71.21 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -44.61 -31.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -93.96 -19.93 20.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -89.45 -60.93 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.608 ' N ' HD21 ' A' ' 42' ' ' LEU . 49.4 ttt-85 -45.31 -40.52 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 6.4 ptmt -57.11 -34.34 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -81.24 -15.91 54.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt -80.84 -40.5 24.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.71 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -68.11 -38.68 82.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 25.6 mt-30 -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.479 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.7 m-80 -133.73 83.0 48.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -6.07 17.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.74 -15.96 14.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 30' ' ' ASN . 31.6 mt -88.18 155.14 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.63 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.4 p-80 -117.48 172.36 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 47.5 m-20 -35.18 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.63 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.39 -37.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 9.1 mm-40 -80.34 -43.7 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.7 mt -59.38 -49.17 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.51 -55.35 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.0 mmtt -36.49 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.9 mtm -91.52 -36.42 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 23' ' ' ARG . 83.8 mt -69.42 -20.96 63.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.57 -46.61 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -61.09 -38.18 85.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -76.09 -30.94 58.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.2 t-105 -67.08 -69.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -44.59 -37.45 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.06 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.798 HD11 ' NE1' ' A' ' 18' ' ' TRP . 86.5 mt -53.83 163.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.0 p -111.93 159.15 18.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.644 HD11 HH11 ' A' ' 55' ' ' ARG . 2.2 tm? -40.68 -55.46 2.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.09 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 28.9 mm-40 -75.52 -32.67 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 71.4 mttt -84.72 -9.86 57.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.67 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -56.93 -50.96 85.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.1 Cg_endo -69.75 -25.37 28.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 30.5 m-85 -98.33 -9.71 24.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.9 t -95.31 -32.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.35 -12.19 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.32 -50.12 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -58.81 -33.36 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.91 -36.36 79.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 -73.43 -38.37 65.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.7 -41.9 87.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -59.43 -57.55 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.63 -30.17 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -65.94 -18.53 65.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -91.82 -36.32 13.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.0 mtm -72.71 -38.39 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.11 -39.49 90.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.95 -37.54 71.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -139.88 122.13 9.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.576 0.703 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' ASN . 53.5 Cg_endo -69.75 -4.97 15.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.8 m120 -34.34 -45.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 76' ' ' LYS . 25.7 p90 -54.53 -175.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 75' ' ' TYR . 11.9 tppt? -34.41 -66.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 m 61.51 32.67 18.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.25 -149.02 7.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 114.07 3.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.28 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.4 m -91.38 148.23 22.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.1 t -118.09 164.04 15.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -91.69 145.18 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -126.1 139.22 53.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 -125.08 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -157.87 152.46 24.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -146.32 160.73 41.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.14 139.75 3.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -83.1 153.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -98.24 -40.75 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' N ' ' HD3' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -114.15 156.36 44.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.914 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 164.71 33.59 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.472 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 1.8 mtm -135.19 157.54 46.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -102.28 -179.08 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.86 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -63.24 -51.54 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.472 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.6 mtp -54.71 -56.25 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 13' ' ' ASN . 57.7 t -52.06 -63.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.946 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.9 t90 -49.24 -32.84 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -71.49 -39.26 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.5 ptmm? -35.98 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.2 t0 -89.5 -45.93 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 21.3 mm-40 -60.19 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' HD21 ' A' ' 42' ' ' LEU . 52.1 ttt-85 -38.79 -46.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -47.42 -46.99 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -28.88 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 36.1 mt -70.02 -45.29 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.66 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.3 pt20 -67.77 -37.52 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 29.0 mt-30 -68.75 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.2 83.42 50.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -4.59 14.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.5 -18.43 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.56 HD22 ' CD ' ' A' ' 37' ' ' GLU . 24.0 mt -85.95 158.45 19.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.779 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 52.8 p-80 -122.01 172.94 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -32.75 -72.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.779 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -36.78 -40.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.56 ' CD ' HD22 ' A' ' 33' ' ' LEU . 10.7 mm-40 -76.04 -38.98 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.491 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 14.7 mt -64.05 -47.49 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.39 -54.89 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.4 mmtt -36.98 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.491 ' HE3' ' HA ' ' A' ' 38' ' ' LEU . 7.0 mtm -94.3 -34.46 12.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.2 mt -65.86 -27.84 68.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.01 -55.3 4.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -50.73 -36.13 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -78.66 -30.29 46.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.483 ' CE3' HD12 ' A' ' 49' ' ' LEU . 64.6 t-105 -68.81 -69.16 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -46.01 -29.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.21 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.946 HD11 ' NE1' ' A' ' 18' ' ' TRP . 83.8 mt -57.18 157.28 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 p -100.08 176.6 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.818 HD11 HH11 ' A' ' 55' ' ' ARG . 2.5 tm? -56.54 -56.87 15.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.82 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.31 -34.87 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 58' ' ' VAL . 59.6 mttt -87.06 -8.38 57.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.818 HH11 HD11 ' A' ' 51' ' ' LEU . 4.8 tpt180 -57.05 -50.67 86.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -25.73 28.4 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.8 m-85 -98.25 -9.4 25.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.3 t -94.62 -35.46 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.16 -11.25 59.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -95.86 -60.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -45.31 -42.66 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.21 -61.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -45.9 -40.66 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.72 -44.47 73.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -58.19 -53.1 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.9 m -57.22 -41.84 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -51.31 -43.85 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -58.41 -52.45 65.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.0 mtm -64.92 -12.6 51.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.88 -52.52 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.92 -20.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -151.16 121.62 3.7 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.566 0.698 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 53.8 Cg_endo -69.74 3.55 2.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' PRO . 2.0 p-10 -37.15 -35.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 19.9 p90 -66.02 161.19 22.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 155.27 34.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.3 m -139.12 133.11 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -164.27 -83.4 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.22 29.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.304 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.0 p -52.94 135.66 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.5 p -92.63 156.87 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -112.24 -37.06 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -135.16 123.5 23.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.85 83.66 1.01 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -92.38 127.77 37.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -103.38 -44.79 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.86 172.99 14.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 10' ' ' ARG . 54.5 mt -121.18 123.93 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 111.171 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -45.75 -40.96 10.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' H ' HG22 ' A' ' 8' ' ' ILE . 2.1 mpt_? -104.11 151.99 39.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 53.7 Cg_endo -69.84 -176.93 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.421 ' HE3' ' HA ' ' A' ' 17' ' ' VAL . 3.6 mtm -129.62 149.11 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.715 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.73 -173.39 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -42.88 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.79 -49.65 56.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.412 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 46.2 mmm -56.75 -52.8 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 13' ' ' ASN . 92.4 t -51.01 -61.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.5 t90 -55.77 -26.84 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -73.9 -41.8 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.3 ptmt -35.06 -34.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ALA . 29.2 t70 -92.2 -61.35 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -42.56 -56.74 2.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HA ' HD21 ' A' ' 42' ' ' LEU . 31.5 ttm180 -42.25 -47.55 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.04 -43.87 7.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -66.85 -32.77 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 38' ' ' LEU . 21.4 mt -66.9 -41.95 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.06 -51.07 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.93 -30.91 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -78.65 -30.27 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.547 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.7 m-80 -134.89 83.21 41.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.374 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.36 -17.76 14.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD12 ' CG ' ' A' ' 30' ' ' ASN . 35.7 mt -85.67 155.57 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.622 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 38.0 p-80 -117.95 170.71 8.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 3.0 t30 -34.2 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.622 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.14 -39.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' HD22 ' A' ' 33' ' ' LEU . 29.4 mm-40 -79.05 -43.65 23.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 26' ' ' LEU . 14.3 mt -57.85 -49.07 77.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.13 -54.99 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.5 mmtp -36.63 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtm -94.34 -35.29 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.543 HD13 ' HB1' ' A' ' 19' ' ' ALA . 94.0 mt -65.05 -23.44 67.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.79 -51.33 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 45' ' ' SER . 20.4 pttp -54.99 -37.86 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.0 m -76.23 -30.72 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 65.7 t-105 -68.39 -69.58 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -46.14 -35.58 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.07 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.508 HD11 ' NE1' ' A' ' 18' ' ' TRP . 72.2 mt -52.3 154.29 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.5 p -93.07 177.44 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 HH11 ' A' ' 55' ' ' ARG . 2.0 tm? -58.89 -56.23 24.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -27.09 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.0 mtpt -85.83 -7.83 58.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 5.6 tpt180 -57.25 -50.66 86.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.8 -24.91 28.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.16 -9.77 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 10.6 t -93.97 -37.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -75.75 -11.04 59.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -92.1 -59.72 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.57 -35.25 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -65.42 -37.47 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -69.34 -29.66 67.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -79.14 -43.5 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -55.65 -56.0 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.467 HG12 ' HE2' ' A' ' 69' ' ' MET . 30.0 m -55.6 -42.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.423 ' N ' HG23 ' A' ' 66' ' ' VAL . 44.2 mt-30 -64.57 -20.08 66.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.4 ' ND1' ' HD3' ' A' ' 11' ' ' PRO . 17.0 t60 -84.02 -31.32 25.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.585 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -99.69 -12.76 19.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -55.63 -36.2 66.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.77 -33.77 74.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' MET . 5.4 p80 -141.19 120.8 8.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.478 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 54.2 Cg_endo -69.74 6.6 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.376 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.5 59.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 39.8 p90 -142.0 167.9 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' TYR . 26.6 tttm -34.13 141.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.6 p -174.32 158.57 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.39 162.67 9.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.7 Cg_endo -69.76 -14.61 36.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.317 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' PRO . 5.3 m -37.1 115.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 t -105.47 150.24 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -113.26 177.23 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -98.61 -53.64 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 87.53 -39.54 3.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 34.9 p -37.4 126.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -97.04 40.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 167.18 36.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.29 147.04 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' CG ' ' HD2' ' A' ' 10' ' ' ARG . 15.9 tpp180 -65.98 -55.2 17.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -124.91 156.1 69.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.78 9.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.511 ' HA ' ' HE2' ' A' ' 16' ' ' MET . 10.3 mtm -131.62 149.7 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.884 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -95.78 -175.77 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.46 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.77 -51.02 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.511 ' HE2' ' HA ' ' A' ' 12' ' ' MET . 6.9 mtm -61.54 -47.2 86.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 13' ' ' ASN . 69.3 t -52.89 -58.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.707 ' NE1' HD11 ' A' ' 49' ' ' LEU . 1.3 t90 -59.56 -26.69 65.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -74.94 -41.16 60.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' ALA . 1.9 ptmm? -34.2 -33.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' ALA . 27.3 t70 -91.59 -41.74 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 8.6 mm-40 -66.62 -56.83 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 14.8 ttp-105 -37.81 -55.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -39.57 -45.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.9 ptt85 -66.35 -33.92 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ARG . 24.5 mt -66.84 -43.62 83.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -53.04 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -62.38 -33.33 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.8 mt-30 -75.09 -32.95 61.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.581 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.1 m-80 -131.67 82.68 60.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.09 17.77 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.53 -18.56 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.581 HD12 ' CG ' ' A' ' 30' ' ' ASN . 50.5 mt -85.68 156.98 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.539 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.2 p-80 -119.21 172.44 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.9 t-20 -34.13 -70.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.539 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -34.98 -40.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.3 mm-40 -76.85 -41.71 42.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.8 mt -61.82 -48.92 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.0 -55.32 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.6 mmtt -35.88 -30.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.7 mtt -93.97 -37.09 11.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 75.5 mt -66.45 -23.64 66.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.36 -54.4 3.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -55.71 -36.43 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 m -77.73 -29.45 51.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 59.4 t-105 -68.37 -69.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -46.46 -33.66 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.31 82.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.707 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.6 mt -56.2 155.41 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 p -102.57 160.5 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD11 HH11 ' A' ' 55' ' ' ARG . 2.7 tm? -40.86 -58.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.18 11.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' THR . 20.6 mt-10 -78.45 -32.65 48.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 34.1 mtpt -87.0 -9.18 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.737 HH11 HD11 ' A' ' 51' ' ' LEU . 4.6 tpt180 -55.51 -50.27 87.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.73 -31.24 21.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.512 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.5 m-85 -91.47 -11.8 36.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.7 t -92.08 -38.33 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.88 -16.34 61.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.92 -59.03 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.46 -36.43 22.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.791 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.9 tt0 -61.69 -46.27 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' C ' HG22 ' A' ' 66' ' ' VAL . 80.7 mtt180 -63.4 -23.44 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.8 mt -85.23 -56.42 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -53.5 -41.82 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.791 HG13 ' O ' ' A' ' 62' ' ' GLU . 34.4 m -58.58 -46.49 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.527 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.8 mp0 -64.75 -20.14 66.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -78.75 -30.9 45.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.581 ' HB2' ' CD1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -101.57 -18.9 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.64 -32.33 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -61.72 -15.78 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' MET . 5.5 p80 -151.86 119.02 3.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.83 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 78.33 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.492 ' O ' ' C ' ' A' ' 75' ' ' TYR . 2.4 p-10 -128.42 -51.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.581 ' CD1' ' HB2' ' A' ' 69' ' ' MET . 11.7 p90 -31.01 -57.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -132.39 -69.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 t 63.81 39.29 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.35 -159.0 15.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 152.48 69.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -106.65 -58.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 86.6 p -77.25 166.91 22.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -169.96 156.29 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -110.2 161.81 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.0 85.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -133.96 107.03 7.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -97.21 -56.38 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.48 -152.11 9.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.9 mt -119.24 145.74 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.342 . . . . 0.0 111.104 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -100.37 -52.37 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -113.86 153.36 46.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 54.2 Cg_endo -69.73 157.37 60.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.404 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm -128.07 147.85 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.7 OUTLIER -91.01 -176.92 4.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.14 85.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -68.9 -46.22 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.418 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 23.8 mtp -58.38 -51.49 69.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 13' ' ' ASN . 85.9 t -51.88 -69.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.624 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.0 t90 -48.24 -35.61 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -70.74 -35.46 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.1 ptmm? -41.55 -36.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.463 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.8 t70 -89.84 -23.19 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.598 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.0 mm-40 -83.37 -60.91 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HB2' HD11 ' A' ' 42' ' ' LEU . 25.9 ttp180 -44.94 -46.0 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -47.72 -36.48 11.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 ptt85 -77.9 -22.24 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 38' ' ' LEU . 40.1 mt -75.45 -37.67 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.67 76.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -66.49 -40.04 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.5 mt-30 -66.39 -38.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.542 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.1 m-80 -126.97 82.89 67.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.89 -17.2 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.542 HD12 ' CG ' ' A' ' 30' ' ' ASN . 35.8 mt -86.03 157.01 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.736 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 34.6 p-80 -119.07 170.6 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 34.7 m120 -34.23 -68.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.736 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -36.19 -39.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.1 mm-40 -77.64 -43.6 30.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' HD12 ' A' ' 26' ' ' LEU . 14.1 mt -59.15 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.13 -53.04 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -38.34 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtm -94.95 -32.63 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 23' ' ' ARG . 66.7 mt -72.38 -21.87 61.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.2 -49.79 4.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -58.18 -36.2 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.92 -27.39 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.2 t-105 -71.61 -69.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -44.94 -34.34 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.22 81.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.624 HD11 ' NE1' ' A' ' 18' ' ' TRP . 61.4 mt -54.63 152.96 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLU . 17.0 p -104.93 164.55 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -41.03 -57.2 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.41 45.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.5 mt-10 -76.8 -36.58 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.8 mttt -85.28 -10.25 56.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.675 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -54.48 -50.6 84.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.74 -32.67 18.18 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.1 m-85 -89.89 -10.32 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.7 t -93.77 -37.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -75.92 -13.71 60.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -87.8 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -46.05 -55.68 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.851 ' O ' HG22 ' A' ' 66' ' ' VAL . 6.8 tt0 -39.3 -57.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 -52.33 -32.62 38.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 61' ' ' ALA . 13.8 mt -79.85 -60.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.59 ' HD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -47.35 -39.21 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 62' ' ' GLU . 26.9 m -74.62 -40.0 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.403 ' N ' HG23 ' A' ' 66' ' ' VAL . 27.6 mt-30 -62.64 -12.71 24.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 82.8 t60 -92.39 -19.99 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.568 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 9.6 mtt -77.05 -42.63 37.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -41.53 -42.17 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -55.82 -42.12 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -137.12 121.62 12.39 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 53.7 Cg_endo -69.8 -2.79 10.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.365 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 28.8 m-20 -46.49 -29.61 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 69' ' ' MET . 31.7 p90 -55.24 -48.51 73.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 12.6 tmtt? -172.4 129.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -166.17 141.03 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.13 -73.62 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.07 25.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.256 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 m -126.24 89.27 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -152.25 160.89 43.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -145.44 125.78 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -60.97 165.05 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.81 73.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -135.02 129.41 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -150.65 120.74 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.49 146.82 3.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -111.73 136.28 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -37.76 -53.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -129.94 153.86 81.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.77 -174.1 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 3.7 mtm -146.81 150.55 35.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.74 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 p30 -95.11 -174.35 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -46.85 79.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -61.86 -51.84 66.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.0 mmm -55.58 -58.54 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 13' ' ' ASN . 78.2 t -43.74 -69.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.803 ' NE1' HD11 ' A' ' 49' ' ' LEU . 1.7 t90 -48.77 -37.53 19.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -65.34 -36.25 83.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -41.59 -31.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 9.9 t70 -89.89 -28.01 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mp0 -83.4 -59.63 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.695 ' N ' HD21 ' A' ' 42' ' ' LEU . 24.1 ttp85 -46.71 -44.86 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 2.7 ptmt -52.8 -31.82 40.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -85.0 -13.47 50.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 38' ' ' LEU . 47.5 mt -82.72 -38.89 22.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.64 72.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -67.65 -39.1 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 15.9 mt-30 -66.8 -31.54 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.517 ' CG ' HD12 ' A' ' 33' ' ' LEU . 73.0 m-80 -134.77 82.75 43.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -5.75 16.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -108.08 -15.39 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 30' ' ' ASN . 41.5 mt -89.37 155.98 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.656 ' NE2' ' HB3' ' A' ' 36' ' ' ALA . 36.8 p-80 -118.16 171.33 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 65.3 m-80 -34.72 -68.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.656 ' HB3' ' NE2' ' A' ' 34' ' ' HIS . . . -35.87 -39.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CD ' HD22 ' A' ' 33' ' ' LEU . 11.5 mm-40 -78.63 -44.25 24.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 13.8 mt -58.32 -49.43 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.35 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.6 mmtp -35.89 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.1 mtm -92.92 -37.11 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.695 HD21 ' N ' ' A' ' 23' ' ' ARG . 75.7 mt -66.0 -25.33 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.98 -53.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.457 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -54.08 -33.4 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -81.28 -31.59 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CE3' HD12 ' A' ' 49' ' ' LEU . 67.2 t-105 -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -45.5 -34.72 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.803 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -58.04 151.29 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.5 p -98.23 167.38 10.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.898 HD11 HH11 ' A' ' 55' ' ' ARG . 2.4 tm? -49.04 -54.92 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.95 -32.16 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 43.6 mm-40 -75.84 -31.89 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.6 mttp -84.47 -10.94 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.898 HH11 HD11 ' A' ' 51' ' ' LEU . 3.6 tpt180 -57.14 -50.54 87.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -26.24 27.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 29.6 m-85 -97.09 -11.11 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 54' ' ' LYS . 15.0 t -94.12 -31.75 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.07 -13.89 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -90.84 -58.54 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -51.53 -32.76 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -63.97 -35.17 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 49.4 mtp180 -70.85 -39.09 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.77 -48.43 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -56.04 -63.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG23 ' CD ' ' A' ' 67' ' ' GLN . 16.6 m -38.55 -38.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.509 ' CD ' HG23 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -69.58 -59.7 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 52.5 t60 -38.6 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' GLN . 11.2 mtt -78.73 -42.85 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 67' ' ' GLN . 6.6 pt20 -41.82 -39.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -55.32 -40.71 71.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -134.44 120.42 14.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 1.02 4.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -47.17 -27.46 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 76' ' ' LYS . 13.2 p90 -69.59 178.44 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 9.5 ttmm -73.34 130.72 40.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.9 t -99.89 -58.37 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.73 82.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.436 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.7 2.88 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.757 2.305 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.1 t -82.51 145.39 29.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -126.13 160.74 29.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.5 mtm . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.755 0.312 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -100.09 -177.22 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.28 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.3 -48.55 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 70.4 mtp -54.99 -55.24 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 13' ' ' ASN . 59.1 t -50.13 -70.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.589 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.2 t90 -43.2 -34.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.56 -43.04 63.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -34.73 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' ALA . 28.8 t70 -91.77 -41.46 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -66.34 -56.8 9.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -38.16 -48.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -44.81 -46.59 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 6.5 ptt85 -63.66 -32.64 74.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.2 mt -70.19 -43.51 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.54 -49.83 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.4 pt20 -67.33 -34.98 78.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.3 mt-30 -71.46 -34.06 69.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.414 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.8 m-80 -131.7 83.96 56.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.55 18.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.1 -15.83 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 30' ' ' ASN . 23.1 mt -88.1 155.88 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.887 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.1 p80 -118.19 170.02 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.2 m-20 -34.48 -69.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.887 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.29 -38.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.6 mm-40 -79.07 -43.9 23.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -59.26 -49.98 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.35 -56.48 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 mmtt -35.15 -33.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -90.35 -38.04 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.5 mt -63.72 -27.23 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.34 -54.19 4.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.11 -37.5 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 m -77.43 -29.07 52.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.412 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.7 t-105 -73.4 -69.58 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -42.62 -33.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.69 91.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 18' ' ' TRP . 64.1 mt -49.39 159.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 p -105.95 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.4 tm? -52.71 -59.15 4.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.411 ' N ' HD13 ' A' ' 51' ' ' LEU . . . -48.77 -32.46 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -74.98 -35.17 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 58' ' ' VAL . 41.2 mttp -86.48 -8.65 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.668 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.1 tpt180 -55.38 -51.01 83.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -28.82 24.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.458 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 37.2 m-85 -94.72 -8.15 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.6 t -95.78 -34.84 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.1 -9.67 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -94.83 -51.55 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.09 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.65 -31.26 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 -179.892 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.449 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 5.0 mtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.754 0.312 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -91.88 -177.02 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.16 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.68 -47.53 66.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.472 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 36.5 mmm -57.98 -53.92 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 13' ' ' ASN . 91.6 t -50.73 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.2 t90 -53.92 -25.38 20.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -80.69 -35.31 33.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -40.79 -34.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 t70 -92.22 -48.68 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -56.4 -58.05 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HA ' HD21 ' A' ' 42' ' ' LEU . 9.6 ttm105 -39.26 -46.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -45.66 -47.33 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.9 ptm180 -63.63 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 29.5 mt -69.18 -44.3 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.88 -50.31 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.2 pt20 -66.26 -34.92 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 21.8 mt-30 -73.05 -32.23 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.435 ' CG ' HD12 ' A' ' 33' ' ' LEU . 73.1 m-80 -133.02 82.89 53.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.74 14.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -108.52 -18.2 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD12 ' CG ' ' A' ' 30' ' ' ASN . 29.9 mt -85.86 156.0 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.734 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.1 p80 -118.55 170.99 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 38' ' ' LEU . 25.9 m120 -33.51 -71.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.06 -40.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' HIS . 25.6 mm-40 -76.87 -43.0 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.1 mt -60.23 -47.98 83.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.06 -55.25 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.6 mmtt -36.74 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.3 mtt -93.66 -35.02 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 19' ' ' ALA . 97.0 mt -66.92 -26.7 66.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.38 -54.12 4.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -53.64 -37.29 62.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 m -76.8 -29.73 56.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.474 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.5 t-105 -68.03 -69.65 0.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -44.83 -34.23 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.36 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.837 HD11 ' NE1' ' A' ' 18' ' ' TRP . 67.9 mt -55.59 154.06 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.4 p -101.8 164.97 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HH11 ' A' ' 55' ' ' ARG . 3.1 tm? -46.19 -56.3 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.0 -32.26 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.405 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.1 mm-40 -76.84 -31.4 56.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.3 mtpt -86.97 -9.26 56.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.774 HH11 HD11 ' A' ' 51' ' ' LEU . 3.7 tpt180 -55.74 -50.61 86.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.73 -29.13 24.5 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.0 m-85 -94.31 -9.35 36.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.7 t -94.8 -35.13 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.85 -14.09 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.91 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -49.51 -39.97 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -59.75 -47.87 83.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.4 mtp85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.808 0.337 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.653 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -95.97 -175.18 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.98 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -73.0 -48.76 33.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.417 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 41.4 mtp -57.95 -49.38 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 13' ' ' ASN . 94.2 t -55.28 -66.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.635 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.9 t90 -47.54 -35.5 9.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -70.67 -39.21 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -36.02 -35.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 34.9 t0 -88.84 -43.61 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -62.49 -57.62 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLU . 53.5 ttt-85 -38.06 -46.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -45.01 -48.0 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -66.74 -28.8 68.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 29.1 mt -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.57 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.3 pt20 -65.75 -37.12 85.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.9 mt-30 -69.93 -32.24 70.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.437 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.3 m-80 -134.02 83.44 45.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -6.7 19.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.758 2.305 . . . . 0.0 112.341 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -106.88 -16.84 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.437 HD12 ' CG ' ' A' ' 30' ' ' ASN . 24.4 mt -86.71 154.39 21.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.851 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 13.3 p80 -116.54 170.63 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.4 t30 -34.55 -70.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.851 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.27 -38.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.9 mm-40 -79.07 -43.08 24.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.8 mt -59.03 -47.6 84.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.12 -53.88 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -38.44 -31.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.43 ' HE2' ' HA ' ' A' ' 38' ' ' LEU . 6.7 mtm -93.65 -32.08 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD13 ' HB1' ' A' ' 19' ' ' ALA . 95.9 mt -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.15 -46.9 6.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.04 -28.11 43.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.497 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.1 t-105 -72.69 -69.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -40.89 -30.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.03 -50.69 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.635 HD11 ' NE1' ' A' ' 18' ' ' TRP . 98.3 mt -42.64 155.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -107.83 170.23 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -46.07 -59.53 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.76 -30.84 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -77.92 -35.19 50.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.2 mttp -85.27 -9.7 57.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 2.0 tpt180 -55.03 -50.53 85.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.705 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.67 -32.2 19.44 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.6 m-85 -90.07 -12.05 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.0 t -92.49 -36.93 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.88 -16.76 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.76 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -38.79 -56.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -43.72 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.758 0.313 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.789 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 p30 -95.92 -174.51 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.31 76.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -59.97 -52.46 65.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 35.8 mmm -54.72 -60.13 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 13' ' ' ASN . 60.4 t -42.21 -69.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.675 ' NE1' HD11 ' A' ' 49' ' ' LEU . 4.3 t90 -47.74 -32.7 6.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' MET . . . -72.27 -35.11 68.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -41.54 -28.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.06 -51.39 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 1.8 mp0 -58.07 -56.82 17.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -38.23 -44.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -48.29 -46.66 36.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.4 ptm180 -66.66 -33.2 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 28.0 mt -66.08 -44.6 84.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -51.14 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.29 -35.25 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.648 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.2 m-80 -129.58 82.51 67.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -5.03 15.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -108.96 -17.85 13.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.648 HD12 ' CG ' ' A' ' 30' ' ' ASN . 52.1 mt -85.47 160.85 19.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.927 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.7 p80 -121.1 170.73 9.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 14.4 t-20 -35.55 -66.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.927 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -38.31 -38.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.46 ' CG ' HD22 ' A' ' 33' ' ' LEU . 37.8 mm-40 -78.78 -42.31 28.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 16.5 mt -58.96 -48.71 80.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.18 -54.47 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.5 mmtm -36.96 -30.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.5 mtm -93.91 -34.91 12.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' SER . 81.8 mt -67.66 -24.81 65.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.08 -50.98 6.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -56.05 -35.67 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.312 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -78.87 -28.92 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.443 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.3 t-105 -68.07 -69.52 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -44.24 -38.04 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.96 83.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.675 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.4 mt -53.44 152.62 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.2 p -99.28 166.43 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.633 HD11 HH11 ' A' ' 55' ' ' ARG . 2.0 tm? -48.37 -54.2 14.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.08 -32.35 46.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mm-40 -75.26 -32.92 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.4 mttt -84.79 -10.39 57.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.8 tpt180 -55.79 -50.69 85.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.71 -29.05 24.72 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 33.1 m-85 -94.06 -9.86 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.8 t -95.0 -34.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -80.69 -11.68 59.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.64 -51.99 4.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -58.07 -32.21 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -59.46 -40.0 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.882 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -96.83 177.31 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.07 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 3.3 t80 -68.34 -39.47 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.409 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 26.5 mmm -66.93 -55.38 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 61' ' ' ALA . 85.3 t -48.52 -62.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 4.9 t90 -52.11 -31.51 31.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.79 -41.28 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.6 ptmm? -34.33 -35.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 24.5 t0 -92.51 -44.28 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -61.83 -58.68 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.2 ttp85 -41.07 -49.03 3.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -39.8 -44.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 5.6 ptt85 -70.56 -33.1 70.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' ARG . 21.1 mt -67.16 -46.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.33 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -60.68 -35.87 77.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.8 mt-30 -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.577 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.5 m-80 -130.56 82.58 64.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.674 0.75 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -6.32 18.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.258 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -107.22 -19.32 13.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 30' ' ' ASN . 49.3 mt -84.46 155.32 22.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.769 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.1 p80 -118.12 171.39 8.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 50.7 m-20 -33.63 -70.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.769 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.21 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.4 mm-40 -77.82 -42.65 33.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -60.77 -50.39 73.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.4 -54.99 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.4 mmtm -35.37 -32.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.3 mtt -93.82 -36.94 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.7 mt -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.01 -57.38 4.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -50.51 -36.02 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -79.0 -32.02 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.545 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 68.2 t-105 -69.83 -68.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -45.03 -32.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.0 93.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 HD11 ' NE1' ' A' ' 18' ' ' TRP . 70.8 mt -58.28 150.51 21.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -100.14 167.03 10.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.6 tm? -45.45 -50.64 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -27.47 56.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.425 ' OE1' HD23 ' A' ' 49' ' ' LEU . 16.7 mt-10 -82.22 -34.62 28.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 58' ' ' VAL . 27.9 mtpt -87.71 -8.79 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.67 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.6 tpt180 -54.74 -50.86 83.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -30.97 21.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -92.04 -9.22 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.2 t -95.19 -34.45 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.83 -12.29 60.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -94.07 -54.82 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -55.34 -37.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -59.83 -40.92 90.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.2 mtm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.794 0.331 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.7 p30 -97.06 -174.52 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.32 -45.02 84.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.82 -51.47 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.426 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 35.2 mmm -55.55 -58.09 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ASN . 58.0 t -44.68 -69.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.0 t90 -45.17 -32.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -74.53 -36.27 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.0 ptmm? -36.44 -34.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 19' ' ' ALA . 36.5 t0 -93.02 -41.27 10.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -64.02 -58.02 7.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HA ' HD21 ' A' ' 42' ' ' LEU . 21.3 ttm180 -38.05 -51.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -44.55 -44.53 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.7 ptt85 -64.27 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 38' ' ' LEU . 25.9 mt -70.95 -45.11 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.8 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.3 pt20 -65.07 -34.44 78.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 22.6 mt-30 -75.04 -30.98 61.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.7 m-80 -133.67 83.3 48.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.719 2.279 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.37 -18.05 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 30' ' ' ASN . 32.9 mt -85.71 155.21 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.769 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.0 p80 -117.85 171.1 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 16.2 t-20 -33.83 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.769 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.75 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.9 mm-40 -77.87 -41.74 35.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.512 ' HB3' HD12 ' A' ' 26' ' ' LEU . 13.1 mt -61.38 -48.63 80.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.08 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.4 mmtt -35.75 -30.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtt -94.74 -36.76 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.6 mt -65.0 -22.09 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -52.52 3.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -54.32 -33.8 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m -80.47 -30.78 37.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 66.2 t-105 -67.01 -68.5 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -45.34 -32.77 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.65 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 18' ' ' TRP . 90.1 mt -56.49 155.13 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 69.4 p -103.87 158.87 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -40.49 -55.69 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 -33.99 37.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 10.2 mm-40 -75.85 -28.16 58.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 35.9 mtpt -88.81 -9.7 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -55.42 -50.65 85.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.5 Cg_endo -69.81 -30.56 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 27.8 m-85 -92.04 -10.82 37.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.21 -36.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -79.25 -14.34 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -87.64 -52.65 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -57.18 -34.43 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.31 -39.95 80.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.889 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 4.3 mtm . . . . . 0 N--CA 1.458 -0.047 0 CA-C-O 120.803 0.335 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -95.93 -173.94 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.48 78.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.96 -50.2 67.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.449 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 88.6 mtp -53.79 -48.98 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 13' ' ' ASN . 56.3 t -58.85 -65.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.642 ' NE1' HD11 ' A' ' 49' ' ' LEU . 7.9 t90 -48.28 -30.13 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -70.74 -40.3 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -39.61 -32.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -92.68 -59.11 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -45.64 -57.71 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.6 ttp180 -39.02 -51.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -41.74 -42.68 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.8 ptm180 -69.64 -32.16 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 31.7 mt -69.41 -44.17 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.38 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.8 pt20 -64.63 -34.69 78.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.6 mt-30 -73.16 -35.15 66.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.581 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.3 m-80 -128.81 83.74 65.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.6 19.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.42 -16.87 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.581 HD12 ' CG ' ' A' ' 30' ' ' ASN . 41.5 mt -87.04 156.44 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.884 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 11.9 p80 -118.37 170.85 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' LEU . 77.3 m-20 -34.97 -68.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.884 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -35.37 -38.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.8 mm-40 -79.37 -44.19 22.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 13.9 mt -57.92 -48.37 80.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.3 mmtm -37.12 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mtt -93.51 -34.67 13.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.562 HD13 ' HB1' ' A' ' 19' ' ' ALA . 84.0 mt -64.04 -25.6 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.49 -53.11 4.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -39.19 72.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 m -74.0 -29.2 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.428 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.0 t-105 -68.09 -69.61 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.87 -37.46 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.88 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.642 HD11 ' NE1' ' A' ' 18' ' ' TRP . 84.8 mt -51.28 159.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.92 169.64 8.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.1 tm? -49.58 -57.09 7.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.97 -32.08 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.32 -36.18 63.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 32.8 mttp -85.36 -9.63 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.671 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -54.88 -50.63 85.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.74 -31.82 19.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.69 -10.72 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 15.2 t -93.73 -38.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -76.4 -11.08 59.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -90.78 -59.21 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.77 -41.27 43.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.6 -58.42 6.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.922 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.409 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 2.1 mtm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.586 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -97.84 -174.04 2.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -42.4 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.81 -47.14 61.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.409 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 71.4 mtp -57.53 -51.37 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 13' ' ' ASN . 93.9 t -53.97 -64.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 5.8 t90 -50.31 -29.81 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -73.86 -36.64 64.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -39.92 -32.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 10.1 t70 -90.36 -51.03 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.557 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 4.2 mp0 -59.19 -58.42 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -38.32 -45.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -46.17 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 10.9 ptt180 -64.75 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 38' ' ' LEU . 24.8 mt -67.77 -44.75 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.84 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.0 pt20 -66.14 -36.25 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.8 mt-30 -72.03 -31.83 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.611 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.9 m-80 -133.32 82.65 52.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.21 18.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.54 -17.9 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.611 HD12 ' CG ' ' A' ' 30' ' ' ASN . 54.4 mt -86.15 156.29 20.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.777 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.2 p80 -118.61 171.67 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 10.3 t-20 -33.98 -70.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.777 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.33 -39.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' CD ' HD22 ' A' ' 33' ' ' LEU . 29.1 mm-40 -78.29 -42.5 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.4 mt -61.19 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.32 -55.01 5.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 27.4 mmtt -36.71 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.9 mtt -95.09 -34.8 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 92.3 mt -68.05 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.4 -51.04 5.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.528 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 45' ' ' SER . 58.2 pttt -53.27 -37.28 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.316 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 4.1 m -78.49 -31.3 47.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.799 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.436 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.49 -68.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -43.67 -37.78 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.09 91.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 ' NE1' ' A' ' 18' ' ' TRP . 85.9 mt -46.39 152.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.2 p -98.69 174.96 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.766 HD11 HH11 ' A' ' 55' ' ' ARG . 3.2 tm? -53.67 -53.75 47.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.65 51.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.507 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 22.3 mm-40 -75.53 -36.14 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 58' ' ' VAL . 49.5 mttt -84.62 -11.69 55.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.766 HH11 HD11 ' A' ' 51' ' ' LEU . 4.7 tpt180 -55.78 -50.16 88.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.75 -31.28 20.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 29.9 m-85 -90.93 -12.77 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.3 t -92.06 -37.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -91.09 -64.79 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -37.94 -58.98 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.1 tt0 -36.91 -64.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.4 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 C--O 1.23 0.043 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.759 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.9 p30 -95.58 -174.65 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.32 -47.43 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -62.02 -51.49 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 11.2 mtp -57.39 -59.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 13' ' ' ASN . 66.4 t -42.77 -68.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.841 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.0 t90 -50.48 -33.44 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -69.78 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -45.9 -24.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.82 -49.64 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.595 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 65.4 mm-40 -61.9 -55.57 28.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.536 ' N ' HD21 ' A' ' 42' ' ' LEU . 19.1 ttp180 -37.8 -52.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -43.39 -45.39 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.22 -34.06 77.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.5 mt -67.2 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.76 61.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -63.3 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.6 mt-30 -70.62 -31.8 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.613 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.3 m-80 -133.09 81.82 55.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.32 -18.66 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.613 HD12 ' CG ' ' A' ' 30' ' ' ASN . 54.1 mt -84.98 155.25 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.794 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 11.2 p80 -117.73 172.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.6 m-20 -34.58 -70.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.794 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -33.73 -38.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.0 mm-40 -79.35 -43.44 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -61.34 -47.56 85.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -39.02 -65.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' SER . 20.4 mtmt -34.11 -47.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.414 ' HB2' HD13 ' A' ' 26' ' ' LEU . 13.9 mtm -69.71 -40.4 76.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.613 HD13 ' HB1' ' A' ' 19' ' ' ALA . 85.4 mt -66.75 -24.75 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -54.87 5.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 45' ' ' SER . 16.5 pttp -49.98 -41.45 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 12.2 m -74.63 -29.71 61.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.487 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -70.47 -68.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -42.19 -33.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.31 96.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.841 HD11 ' NE1' ' A' ' 18' ' ' TRP . 88.9 mt -54.94 146.65 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -97.24 170.6 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.42 -56.08 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -30.98 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 6.6 mm-40 -77.52 -34.2 54.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.0 mtpt -85.94 -9.5 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.669 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -54.65 -51.04 82.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.3 Cg_endo -69.72 -31.9 19.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.9 m-85 -90.26 -10.91 42.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 17.4 t -94.25 -34.3 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -81.47 -10.76 59.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -93.36 -52.22 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -56.35 -39.37 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -53.42 -38.27 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.89 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.484 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 2.0 mtm . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.792 0.329 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.532 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 1.8 p30 -101.64 179.42 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.2 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.01 -53.52 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.484 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 80.0 mtp -58.61 -62.03 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 61' ' ' ALA . 73.8 t -39.04 -61.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.581 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.3 t90 -58.52 -25.67 62.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -77.71 -32.37 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -44.51 -30.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -93.74 -46.19 7.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.5 mm-40 -61.96 -61.11 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 16.9 ttp85 -38.06 -47.93 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -41.57 -46.02 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.3 ptm180 -67.24 -32.87 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.445 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.0 mt -68.05 -45.87 72.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -50.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.62 -33.29 75.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.41 -32.32 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.556 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.7 m-80 -132.02 83.27 56.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.52 18.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -107.33 -17.18 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.556 HD12 ' CG ' ' A' ' 30' ' ' ASN . 40.0 mt -86.42 155.93 20.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.829 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.1 p80 -118.45 171.3 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' LEU . 5.7 t-20 -34.86 -69.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.829 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.39 -38.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' CG ' HD22 ' A' ' 33' ' ' LEU . 12.8 mm-40 -79.82 -43.24 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' ASN . 16.3 mt -60.38 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -43.71 -55.67 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.9 mmtt -36.7 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.6 mtm -92.91 -35.36 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -67.68 -21.79 65.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.07 -49.62 4.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 45' ' ' SER . 11.7 ptpt -54.59 -37.51 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.326 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 6.6 m -78.23 -28.76 47.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.437 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 72.1 t-105 -72.89 -69.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -42.08 -34.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.78 97.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.49 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -52.38 160.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 p -106.93 176.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.9 tm? -54.1 -58.62 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.18 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.73 -35.49 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 24.4 mttp -86.1 -7.42 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -56.37 -50.8 85.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.545 0.688 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.3 Cg_endo -69.79 -28.16 25.43 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 42.4 m-85 -94.76 -11.13 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.4 t -93.01 -36.72 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.5 -10.94 59.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -95.6 -58.46 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -46.7 -46.05 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -49.12 -58.86 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.482 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 5.3 mtm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.691 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -87.71 -177.78 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.98 89.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.603 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 24.4 mmm -59.26 -54.75 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 13' ' ' ASN . 48.8 t -51.19 -68.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.659 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.9 t90 -46.63 -35.31 5.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -66.82 -36.3 82.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 1.1 ptmm? -42.92 -30.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 29.9 t0 -92.42 -25.08 18.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.9 mp0 -88.08 -60.03 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.591 ' N ' HD21 ' A' ' 42' ' ' LEU . 55.3 ttt-85 -46.38 -38.08 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 3.0 ptmt -62.03 -33.19 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.2 ptm180 -82.83 -14.16 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.69 -41.16 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.15 74.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.6 pt20 -68.32 -38.67 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 17.5 mt-30 -67.69 -33.37 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.522 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.3 m-80 -132.54 82.77 56.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -5.22 15.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.33 -17.14 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.522 HD12 ' CG ' ' A' ' 30' ' ' ASN . 36.9 mt -86.48 158.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.813 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.8 p80 -120.72 169.75 10.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.5 m-20 -33.24 -70.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.813 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.83 -39.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' HIS . 54.2 mm-40 -77.74 -42.79 33.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -61.14 -50.73 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.37 -55.95 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.0 mmtt -35.08 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.7 mtt -88.72 -39.15 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD21 ' N ' ' A' ' 23' ' ' ARG . 67.7 mt -63.84 -25.95 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.97 -56.97 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -36.58 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.1 m -77.07 -31.39 56.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.445 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.4 t-105 -69.03 -69.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.03 -36.38 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.84 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.659 HD11 ' NE1' ' A' ' 18' ' ' TRP . 97.2 mt -58.98 157.53 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.5 167.08 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.695 HD11 HH11 ' A' ' 55' ' ' ARG . 2.2 tm? -45.66 -54.78 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.59 55.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.29 -34.42 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 58' ' ' VAL . 62.9 mttt -85.39 -9.36 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.695 HH11 HD11 ' A' ' 51' ' ' LEU . 4.3 tpt180 -55.7 -50.66 85.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.76 -29.13 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.0 m-85 -94.23 -9.39 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.5 t -94.67 -36.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.18 -11.38 59.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -90.69 -51.24 5.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -59.17 -27.0 65.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -68.02 -40.73 82.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.9 mtm . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.8 0.333 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.672 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 p-10 -92.6 -176.06 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.37 79.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -65.59 -48.29 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.452 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 73.3 mtp -58.01 -50.23 74.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 13' ' ' ASN . 93.4 t -54.95 -64.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.0 t90 -52.0 -30.83 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -72.07 -36.84 69.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -38.48 -36.83 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.17 -57.64 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB3' HD22 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -43.64 -56.33 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.545 ' HA ' HD21 ' A' ' 42' ' ' LEU . 12.7 ttt-85 -41.26 -51.17 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -40.48 -40.39 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.2 ptt85 -70.06 -34.43 73.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 41' ' ' MET . 17.1 mt -66.04 -47.02 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.53 -56.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.2 pt20 -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 7.5 mt-30 -73.5 -29.17 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.793 ' CG ' HD12 ' A' ' 33' ' ' LEU . 63.5 m-80 -134.84 82.83 42.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -108.39 -19.64 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 30' ' ' ASN . 86.0 mt -83.65 151.71 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.895 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.0 p80 -112.99 170.18 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.2 m120 -35.87 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.895 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -33.6 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' HD22 ' A' ' 33' ' ' LEU . 20.7 mm-40 -80.73 -43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -61.25 -43.2 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -44.05 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' SER . 9.1 mttm -33.87 -43.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.554 ' HB2' HD13 ' A' ' 26' ' ' LEU . 20.7 mtm -68.44 -45.13 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.767 HD13 ' HB1' ' A' ' 19' ' ' ALA . 76.1 mt -61.66 -23.08 65.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.84 -57.78 4.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -51.02 -35.87 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 m -77.96 -30.67 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.628 ' HZ2' ' HZ3' ' A' ' 54' ' ' LYS . 65.8 t-105 -70.12 -69.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -44.08 -32.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 ' NE1' ' A' ' 18' ' ' TRP . 85.3 mt -57.37 152.6 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.4 p -98.98 170.83 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.706 HD11 HH11 ' A' ' 55' ' ' ARG . 2.3 tm? -49.55 -57.3 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.97 -33.08 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.88 -34.15 64.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.3 mtpm? -87.08 -7.42 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.706 HH11 HD11 ' A' ' 51' ' ' LEU . 4.2 tpt180 -55.94 -50.64 86.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.1 Cg_endo -69.81 -28.34 25.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.303 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 41.2 m-85 -95.19 -9.32 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.6 t -94.4 -37.52 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.03 -10.23 59.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -93.23 -50.35 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -59.19 -30.73 68.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.56 -40.63 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.485 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.0 mtm . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.756 0.312 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.818 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -106.06 -174.28 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.41 -43.76 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.44 -53.2 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.485 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 84.1 mtp -54.67 -59.71 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 13' ' ' ASN . 38.9 t -43.77 -70.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 t90 -42.42 -39.74 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -66.66 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' NZ ' ' CE ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -36.84 -34.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -93.64 -45.16 7.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mm-40 -61.1 -58.26 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' GLU . 34.8 ttt180 -38.03 -48.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -45.84 -46.67 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.39 -28.78 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.2 mt -70.89 -44.3 66.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.06 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.4 pt20 -65.02 -33.93 77.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.4 mt-30 -74.65 -30.82 61.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -134.33 83.34 44.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -4.95 15.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -108.26 -18.46 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD22 ' CD ' ' A' ' 37' ' ' GLU . 23.0 mt -85.52 157.94 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.98 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.0 p80 -122.17 172.6 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -32.56 -72.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.98 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -35.96 -40.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.513 ' CD ' HD22 ' A' ' 33' ' ' LEU . 10.2 mm-40 -76.0 -40.0 54.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 16.2 mt -63.54 -48.76 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.97 -55.09 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.1 mmtt -36.23 -30.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.507 ' HE3' ' HA ' ' A' ' 38' ' ' LEU . 7.1 mtm -93.38 -36.62 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.7 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.19 -56.8 3.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -34.66 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.1 m -79.89 -29.32 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.46 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 64.5 t-105 -68.12 -69.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -44.8 -38.94 4.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.45 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' NE1' ' A' ' 18' ' ' TRP . 76.4 mt -60.09 159.92 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -108.04 171.31 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.2 -59.28 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.02 -31.82 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -76.43 -34.23 58.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.5 mtpt -86.63 -8.61 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.671 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -55.2 -50.87 84.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.71 -30.95 21.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.378 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.423 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 40.0 m-85 -91.55 -10.79 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.35 -37.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.24 -12.87 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -90.16 -58.95 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -50.34 -41.0 50.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.68 -36.73 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.907 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.417 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.8 mtm . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.823 0.344 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -99.39 -173.83 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.24 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.78 -50.74 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.2 mtp -56.59 -54.5 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 13' ' ' ASN . 82.4 t -50.13 -68.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.593 ' NE1' HD11 ' A' ' 49' ' ' LEU . 5.7 t90 -46.94 -33.1 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -75.2 -31.13 60.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -38.81 -36.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -93.17 -44.06 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 16.6 mm-40 -58.46 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.479 ' N ' HD21 ' A' ' 42' ' ' LEU . 47.1 ttt180 -41.04 -45.2 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -47.94 -40.94 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.462 ' NH1' HD21 ' A' ' 26' ' ' LEU . 4.6 ptt-85 -72.08 -26.35 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 ' HB2' ' A' ' 41' ' ' MET . 21.6 mt -71.85 -44.09 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.0 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.1 pt20 -66.26 -37.41 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 11.3 mt-30 -70.16 -32.1 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.511 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.7 m-80 -132.7 83.98 51.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.37 18.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.56 -16.79 14.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.511 HD12 ' CG ' ' A' ' 30' ' ' ASN . 37.7 mt -87.85 149.96 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.933 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 12.2 p80 -110.76 170.92 7.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 58.7 t30 -37.1 -69.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.933 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.05 -36.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ASN . 77.9 mm-40 -81.93 -43.12 18.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 12.5 mt -60.98 -42.75 98.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -43.81 -65.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.1 mttt -34.05 -40.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 38' ' ' LEU . 16.9 mtm -71.36 -45.19 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' SER . 37.7 mt -64.23 -24.31 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -55.68 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -50.71 -39.92 52.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.7 m -75.61 -32.23 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.466 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.62 -69.48 0.31 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -42.73 -36.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.08 90.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.593 HD11 ' NE1' ' A' ' 18' ' ' TRP . 92.4 mt -55.72 152.45 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 165.2 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.1 tm? -42.66 -60.0 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.4 -34.16 6.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mt-10 -73.07 -36.38 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 23.4 mttp -84.96 -10.08 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.7 tpt180 -54.64 -50.83 83.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.75 -32.26 18.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.9 m-85 -90.04 -10.61 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.1 t -93.75 -36.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.54 -10.72 59.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -94.35 -60.6 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -45.58 -47.31 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.14 -59.57 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.0 mtt180 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 mtm . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.805 0.336 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.801 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.1 p30 -93.36 -174.39 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.7 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.07 -52.37 66.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 30.1 mmm -55.56 -60.48 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 13' ' ' ASN . 59.6 t -42.12 -69.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.798 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.1 t90 -47.8 -33.2 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -71.21 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -44.61 -31.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -93.96 -19.93 20.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -89.45 -60.93 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.608 ' N ' HD21 ' A' ' 42' ' ' LEU . 49.4 ttt-85 -45.31 -40.52 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 6.4 ptmt -57.11 -34.34 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.501 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -81.24 -15.91 54.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt -80.84 -40.5 24.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.71 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -68.11 -38.68 82.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 25.6 mt-30 -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.479 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.7 m-80 -133.73 83.0 48.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -6.07 17.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.74 -15.96 14.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 30' ' ' ASN . 31.6 mt -88.18 155.14 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.83 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 12.7 p80 -117.48 172.36 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 47.5 m-20 -35.18 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.83 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.39 -37.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 9.1 mm-40 -80.34 -43.7 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.7 mt -59.38 -49.17 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.51 -55.35 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.0 mmtt -36.49 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.9 mtm -91.52 -36.42 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 23' ' ' ARG . 83.8 mt -69.42 -20.96 63.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.57 -46.61 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -61.09 -38.18 85.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -76.09 -30.94 58.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.2 t-105 -67.08 -69.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -44.59 -37.45 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.06 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.798 HD11 ' NE1' ' A' ' 18' ' ' TRP . 86.5 mt -53.83 163.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.0 p -111.93 159.15 18.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.644 HD11 HH11 ' A' ' 55' ' ' ARG . 2.2 tm? -40.68 -55.46 2.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.09 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 28.9 mm-40 -75.52 -32.67 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 71.4 mttt -84.72 -9.86 57.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.67 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -56.93 -50.96 85.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.1 Cg_endo -69.75 -25.37 28.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 30.5 m-85 -98.33 -9.71 24.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.9 t -95.31 -32.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.35 -12.19 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.32 -50.12 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -58.81 -33.36 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.91 -36.36 79.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.7 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.472 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 1.8 mtm . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 120.744 0.307 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.479 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -102.28 -179.08 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.86 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.479 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . 44.5 t80 -63.24 -51.54 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.479 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 66.6 mtp -54.71 -56.25 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 13' ' ' ASN . 57.7 t -52.06 -63.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.946 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.9 t90 -49.24 -32.84 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -71.49 -39.26 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.5 ptmm? -35.98 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.2 t0 -89.5 -45.93 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 21.3 mm-40 -60.19 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' HD21 ' A' ' 42' ' ' LEU . 52.1 ttt-85 -38.79 -46.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -47.42 -46.99 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -28.88 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 36.1 mt -70.02 -45.29 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.66 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.3 pt20 -67.77 -37.52 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 29.0 mt-30 -68.75 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -133.2 83.42 50.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -4.59 14.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.5 -18.43 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.56 HD22 ' CD ' ' A' ' 37' ' ' GLU . 24.0 mt -85.95 158.45 19.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.976 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.0 p80 -122.01 172.94 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -32.75 -72.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.976 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -36.78 -40.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.56 ' CD ' HD22 ' A' ' 33' ' ' LEU . 10.7 mm-40 -76.04 -38.98 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.7 mt -64.05 -47.49 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.39 -54.89 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.4 mmtt -36.98 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -94.3 -34.46 12.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.2 mt -65.86 -27.84 68.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.01 -55.3 4.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -50.73 -36.13 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -78.66 -30.29 46.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.483 ' CE3' HD12 ' A' ' 49' ' ' LEU . 64.6 t-105 -68.81 -69.16 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -46.01 -29.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.21 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.946 HD11 ' NE1' ' A' ' 18' ' ' TRP . 83.8 mt -57.18 157.28 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 p -100.08 176.6 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.818 HD11 HH11 ' A' ' 55' ' ' ARG . 2.5 tm? -56.54 -56.87 15.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.82 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.31 -34.87 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 58' ' ' VAL . 59.6 mttt -87.06 -8.38 57.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.818 HH11 HD11 ' A' ' 51' ' ' LEU . 4.8 tpt180 -57.05 -50.67 86.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -25.73 28.4 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.8 m-85 -98.25 -9.4 25.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.3 t -94.62 -35.46 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.16 -11.25 59.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -95.86 -60.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -45.31 -42.66 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.21 -61.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.421 ' HE3' ' HA ' ' A' ' 17' ' ' VAL . 3.6 mtm . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.778 0.323 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.715 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.73 -173.39 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -42.88 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.79 -49.65 56.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.412 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 46.2 mmm -56.75 -52.8 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 13' ' ' ASN . 92.4 t -51.01 -61.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.5 t90 -55.77 -26.84 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -73.9 -41.8 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.3 ptmt -35.06 -34.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ALA . 29.2 t70 -92.2 -61.35 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -42.56 -56.74 2.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HA ' HD21 ' A' ' 42' ' ' LEU . 31.5 ttm180 -42.25 -47.55 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.04 -43.87 7.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -66.85 -32.77 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 38' ' ' LEU . 21.4 mt -66.9 -41.95 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.06 -51.07 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.93 -30.91 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -78.65 -30.27 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.547 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.7 m-80 -134.89 83.21 41.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.374 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.36 -17.76 14.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD12 ' CG ' ' A' ' 30' ' ' ASN . 35.7 mt -85.67 155.57 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.822 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.1 p80 -117.95 170.71 8.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 3.0 t30 -34.2 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.822 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.14 -39.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' HD22 ' A' ' 33' ' ' LEU . 29.4 mm-40 -79.05 -43.65 23.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 26' ' ' LEU . 14.3 mt -57.85 -49.07 77.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.13 -54.99 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.5 mmtp -36.63 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtm -94.34 -35.29 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.543 HD13 ' HB1' ' A' ' 19' ' ' ALA . 94.0 mt -65.05 -23.44 67.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.79 -51.33 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 45' ' ' SER . 20.4 pttp -54.99 -37.86 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.0 m -76.23 -30.72 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 65.7 t-105 -68.39 -69.58 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -46.14 -35.58 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.07 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.508 HD11 ' NE1' ' A' ' 18' ' ' TRP . 72.2 mt -52.3 154.29 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.5 p -93.07 177.44 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 HH11 ' A' ' 55' ' ' ARG . 2.0 tm? -58.89 -56.23 24.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -27.09 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.0 mtpt -85.83 -7.83 58.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 5.6 tpt180 -57.25 -50.66 86.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.8 -24.91 28.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.16 -9.77 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 10.6 t -93.97 -37.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -75.75 -11.04 59.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -92.1 -59.72 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.57 -35.25 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -65.42 -37.47 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.511 ' HA ' ' HE2' ' A' ' 16' ' ' MET . 10.3 mtm . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.766 0.317 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.884 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -95.78 -175.77 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.46 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.77 -51.02 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.638 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 6.9 mtm -61.54 -47.2 86.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 13' ' ' ASN . 69.3 t -52.89 -58.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.707 ' NE1' HD11 ' A' ' 49' ' ' LEU . 1.3 t90 -59.56 -26.69 65.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -74.94 -41.16 60.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' ALA . 1.9 ptmm? -34.2 -33.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' ALA . 27.3 t70 -91.59 -41.74 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 8.6 mm-40 -66.62 -56.83 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 14.8 ttp-105 -37.81 -55.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -39.57 -45.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.9 ptt85 -66.35 -33.92 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ARG . 24.5 mt -66.84 -43.62 83.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -53.04 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -62.38 -33.33 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.8 mt-30 -75.09 -32.95 61.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.581 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.1 m-80 -131.67 82.68 60.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.09 17.77 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.53 -18.56 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.581 HD12 ' CG ' ' A' ' 30' ' ' ASN . 50.5 mt -85.68 156.98 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.742 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.2 p80 -119.21 172.44 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.9 t-20 -34.13 -70.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.742 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.98 -40.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.3 mm-40 -76.85 -41.71 42.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.8 mt -61.82 -48.92 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.0 -55.32 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.6 mmtt -35.88 -30.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.7 mtt -93.97 -37.09 11.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 75.5 mt -66.45 -23.64 66.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.36 -54.4 3.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -55.71 -36.43 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 m -77.73 -29.45 51.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 59.4 t-105 -68.37 -69.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -46.46 -33.66 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.31 82.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.707 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.6 mt -56.2 155.41 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 p -102.57 160.5 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.737 HD11 HH11 ' A' ' 55' ' ' ARG . 2.7 tm? -40.86 -58.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.18 11.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' THR . 20.6 mt-10 -78.45 -32.65 48.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 34.1 mtpt -87.0 -9.18 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.737 HH11 HD11 ' A' ' 51' ' ' LEU . 4.6 tpt180 -55.51 -50.27 87.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.73 -31.24 21.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.512 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.5 m-85 -91.47 -11.8 36.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.7 t -92.08 -38.33 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.88 -16.34 61.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.92 -59.03 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.46 -36.43 22.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -61.69 -46.27 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.756 0.312 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -91.01 -176.92 4.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.14 85.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -68.9 -46.22 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.589 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 23.8 mtp -58.38 -51.49 69.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 13' ' ' ASN . 85.9 t -51.88 -69.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.624 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.0 t90 -48.24 -35.61 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -70.74 -35.46 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.1 ptmm? -41.55 -36.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.463 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.8 t70 -89.84 -23.19 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.598 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.0 mm-40 -83.37 -60.91 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HB2' HD11 ' A' ' 42' ' ' LEU . 25.9 ttp180 -44.94 -46.0 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -47.72 -36.48 11.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 ptt85 -77.9 -22.24 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 38' ' ' LEU . 40.1 mt -75.45 -37.67 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.67 76.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -66.49 -40.04 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.5 mt-30 -66.39 -38.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.542 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.1 m-80 -126.97 82.89 67.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.89 -17.2 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.542 HD12 ' CG ' ' A' ' 30' ' ' ASN . 35.8 mt -86.03 157.01 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.936 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.9 p80 -119.07 170.6 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 34.7 m120 -34.23 -68.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.936 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -36.19 -39.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.1 mm-40 -77.64 -43.6 30.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' HD12 ' A' ' 26' ' ' LEU . 14.1 mt -59.15 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.13 -53.04 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -38.34 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtm -94.95 -32.63 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 23' ' ' ARG . 66.7 mt -72.38 -21.87 61.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.2 -49.79 4.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -58.18 -36.2 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.92 -27.39 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.2 t-105 -71.61 -69.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -44.94 -34.34 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.22 81.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.624 HD11 ' NE1' ' A' ' 18' ' ' TRP . 61.4 mt -54.63 152.96 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLU . 17.0 p -104.93 164.55 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -41.03 -57.2 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.41 45.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.5 mt-10 -76.8 -36.58 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.8 mttt -85.28 -10.25 56.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.675 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -54.48 -50.6 84.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.74 -32.67 18.18 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.1 m-85 -89.89 -10.32 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.7 t -93.77 -37.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -75.92 -13.71 60.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -87.8 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -46.05 -55.68 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -39.3 -57.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 3.7 mtm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.782 0.325 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.74 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 p30 -95.11 -174.35 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -46.85 79.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -61.86 -51.84 66.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.0 mmm -55.58 -58.54 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 13' ' ' ASN . 78.2 t -43.74 -69.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.803 ' NE1' HD11 ' A' ' 49' ' ' LEU . 1.7 t90 -48.77 -37.53 19.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -65.34 -36.25 83.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -41.59 -31.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 9.9 t70 -89.89 -28.01 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mp0 -83.4 -59.63 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.695 ' N ' HD21 ' A' ' 42' ' ' LEU . 24.1 ttp85 -46.71 -44.86 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 2.7 ptmt -52.8 -31.82 40.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -85.0 -13.47 50.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 38' ' ' LEU . 47.5 mt -82.72 -38.89 22.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.64 72.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -67.65 -39.1 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 15.9 mt-30 -66.8 -31.54 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.517 ' CG ' HD12 ' A' ' 33' ' ' LEU . 73.0 m-80 -134.77 82.75 43.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -5.75 16.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -108.08 -15.39 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 30' ' ' ASN . 41.5 mt -89.37 155.98 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.848 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.7 p80 -118.16 171.33 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 65.3 m-80 -34.72 -68.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.848 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -35.87 -39.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CD ' HD22 ' A' ' 33' ' ' LEU . 11.5 mm-40 -78.63 -44.25 24.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.456 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 13.8 mt -58.32 -49.43 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.35 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.6 mmtp -35.89 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.1 mtm -92.92 -37.11 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.695 HD21 ' N ' ' A' ' 23' ' ' ARG . 75.7 mt -66.0 -25.33 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.98 -53.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.457 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -54.08 -33.4 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -81.28 -31.59 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CE3' HD12 ' A' ' 49' ' ' LEU . 67.2 t-105 -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -45.5 -34.72 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.803 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -58.04 151.29 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.5 p -98.23 167.38 10.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.898 HD11 HH11 ' A' ' 55' ' ' ARG . 2.4 tm? -49.04 -54.92 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.95 -32.16 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 43.6 mm-40 -75.84 -31.89 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.6 mttp -84.47 -10.94 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.898 HH11 HD11 ' A' ' 51' ' ' LEU . 3.6 tpt180 -57.14 -50.54 87.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -26.24 27.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 29.6 m-85 -97.09 -11.11 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 54' ' ' LYS . 15.0 t -94.12 -31.75 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.07 -13.89 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -90.84 -58.54 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -51.53 -32.76 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -63.97 -35.17 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.4 mtp180 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -102.82 97.34 7.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -111.33 86.68 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.35 -136.44 5.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 m -91.84 153.41 19.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 0.0 110.839 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.6 p -135.4 169.52 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.837 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.91 148.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.462 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -84.77 140.76 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -93.8 -51.64 4.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.5 OUTLIER -119.41 152.21 52.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.564 0.697 . . . . 0.0 110.857 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 161.05 47.44 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.354 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.442 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.5 mtm -126.31 159.03 34.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.63 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -100.09 -177.22 3.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.73 -41.28 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -68.3 -48.55 64.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.442 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 70.4 mtp -54.99 -55.24 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 13' ' ' ASN . 59.1 t -50.13 -70.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.589 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.2 t90 -43.2 -34.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.56 -43.04 63.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.091 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 0.4 OUTLIER -34.73 -33.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 19' ' ' ALA . 28.8 t70 -91.77 -41.46 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.862 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.5 OUTLIER -66.34 -56.8 9.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 -38.16 -48.65 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -44.81 -46.59 10.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 6.5 ptt85 -63.66 -32.64 74.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.2 mt -70.19 -43.51 70.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.54 -49.83 73.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.43 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.4 pt20 -67.33 -34.98 78.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.3 mt-30 -71.46 -34.06 69.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.414 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.8 m-80 -131.7 83.96 56.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.588 0.708 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.55 18.88 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.709 2.273 . . . . 0.0 112.305 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -107.1 -15.83 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD12 ' CG ' ' A' ' 30' ' ' ASN . 23.1 mt -88.1 155.88 19.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.887 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.1 p80 -118.19 170.02 9.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.823 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.2 m-20 -34.48 -69.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.887 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.29 -38.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' HIS . 6.6 mm-40 -79.07 -43.9 23.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -59.26 -49.98 75.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.35 -56.48 2.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.3 mmtt -35.15 -33.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -90.35 -38.04 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.5 mt -63.72 -27.23 69.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.34 -54.19 4.46 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.466 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.11 -37.5 54.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.6 m -77.43 -29.07 52.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.864 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.412 ' CE3' HD12 ' A' ' 49' ' ' LEU . 69.7 t-105 -73.4 -69.58 0.42 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -42.62 -33.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.18 -44.69 91.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' A' ' 18' ' ' TRP . 64.1 mt -49.39 159.3 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 55.4 p -105.95 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.173 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.509 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.4 tm? -52.71 -59.15 4.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.411 ' N ' HD13 ' A' ' 51' ' ' LEU . . . -48.77 -32.46 8.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -74.98 -35.17 62.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 58' ' ' VAL . 41.2 mttp -86.48 -8.65 57.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.668 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.1 tpt180 -55.38 -51.01 83.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.662 0.744 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -28.82 24.86 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.458 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 37.2 m-85 -94.72 -8.15 38.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.6 t -95.78 -34.84 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -80.1 -9.67 59.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -94.83 -51.55 4.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.55 -32.09 70.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.8 tt0 -63.65 -31.26 72.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.4 mtp180 -77.46 -37.6 51.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.819 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 39.4 mt -67.26 -39.96 86.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -64.92 -57.68 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 m -47.39 -31.7 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 69' ' ' MET . 27.3 mt-30 -64.43 -61.42 2.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -42.2 -24.62 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.517 ' HB3' ' CD2' ' A' ' 75' ' ' TYR . 5.7 mtt -81.17 -41.6 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 67' ' ' GLN . 6.6 pt20 -47.63 -38.28 14.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.07 -36.13 76.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -142.39 121.57 7.77 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.467 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 53.5 Cg_endo -69.75 4.0 2.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 -75.81 49.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.662 ' CD1' ' N ' ' A' ' 76' ' ' LYS . 44.5 p90 -127.33 -52.51 1.39 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.662 ' N ' ' CD1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -174.93 119.01 0.19 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.942 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.0 t -148.41 128.99 14.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.836 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.4 83.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.446 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -173.88 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.355 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 m -103.08 147.88 26.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 81.7 p -158.12 151.74 23.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -154.23 146.34 23.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.951 0.405 . . . . 0.0 110.811 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -114.36 161.97 17.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.76 -118.43 0.97 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -94.47 106.8 18.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.5 p -113.69 -17.01 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.37 171.31 13.22 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mp -110.13 99.26 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.813 0.339 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.5 mmt-85 -61.31 -63.83 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.9 mmt-85 -113.52 149.16 41.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.6 Cg_endo -69.82 -170.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.246 . . . . 0.0 112.326 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.449 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 5.0 mtm -148.6 151.78 35.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.626 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.4 OUTLIER -91.88 -177.02 4.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.95 -40.16 83.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -68.68 -47.53 66.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.472 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 36.5 mmm -57.98 -53.92 52.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 13' ' ' ASN . 91.6 t -50.73 -62.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.186 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.837 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.2 t90 -53.92 -25.38 20.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -80.69 -35.31 33.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -40.79 -34.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.466 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.7 t70 -92.22 -48.68 6.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.844 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -56.4 -58.05 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' HA ' HD21 ' A' ' 42' ' ' LEU . 9.6 ttm105 -39.26 -46.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -45.66 -47.33 14.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.9 ptm180 -63.63 -31.15 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 29.5 mt -69.18 -44.3 72.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.88 -50.31 71.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.2 pt20 -66.26 -34.92 79.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.434 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 21.8 mt-30 -73.05 -32.23 64.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.435 ' CG ' HD12 ' A' ' 33' ' ' LEU . 73.1 m-80 -133.02 82.89 53.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.587 0.708 . . . . 0.0 110.927 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -4.74 14.64 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.66 2.24 . . . . 0.0 112.334 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -108.52 -18.2 13.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD12 ' CG ' ' A' ' 30' ' ' ASN . 29.9 mt -85.86 156.0 20.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.734 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.1 p80 -118.55 170.99 8.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 38' ' ' LEU . 25.9 m120 -33.51 -71.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.734 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.06 -40.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.076 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' HIS . 25.6 mm-40 -76.87 -43.0 37.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.1 mt -60.23 -47.98 83.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.06 -55.25 4.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.6 mmtt -36.74 -31.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.3 mtt -93.66 -35.02 13.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' ' 19' ' ' ALA . 97.0 mt -66.92 -26.7 66.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.38 -54.12 4.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -53.64 -37.29 62.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.4 m -76.8 -29.73 56.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.474 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.5 t-105 -68.03 -69.65 0.31 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -44.83 -34.23 2.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.36 84.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.837 HD11 ' NE1' ' A' ' 18' ' ' TRP . 67.9 mt -55.59 154.06 7.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 64.4 p -101.8 164.97 11.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.774 HD11 HH11 ' A' ' 55' ' ' ARG . 3.1 tm? -46.19 -56.3 5.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.0 -32.26 33.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.405 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 9.1 mm-40 -76.84 -31.4 56.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.3 mtpt -86.97 -9.26 56.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.774 HH11 HD11 ' A' ' 51' ' ' LEU . 3.7 tpt180 -55.74 -50.61 86.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.73 -29.13 24.5 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.336 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.502 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.0 m-85 -94.31 -9.35 36.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.7 t -94.8 -35.13 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -77.85 -14.09 59.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -87.91 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -49.51 -39.97 36.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.053 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.86 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.7 tt0 -59.75 -47.87 83.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' C ' HG22 ' A' ' 66' ' ' VAL . 63.4 mtp85 -58.78 -25.64 63.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 mt -81.62 -61.87 1.81 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -52.14 -45.45 65.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.86 HG13 ' O ' ' A' ' 62' ' ' GLU . 26.3 m -54.92 -47.77 75.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.569 ' N ' HG23 ' A' ' 66' ' ' VAL . 62.5 mt-30 -73.14 -15.96 61.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.502 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 13.1 t60 -78.09 -30.42 49.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.545 ' SD ' ' CG ' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -102.04 -28.36 12.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -42.17 -34.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -57.77 -41.4 81.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -124.27 112.51 28.08 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.816 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 79.88 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -135.02 -34.31 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.545 ' CG ' ' SD ' ' A' ' 69' ' ' MET . 22.8 p90 -42.06 161.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.6 pttt -50.94 177.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.858 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.1 t -154.91 117.69 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.67 -171.76 34.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -45.94 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.8 m -78.07 159.22 28.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.4 p -66.08 127.47 32.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -116.51 86.02 2.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -100.47 93.27 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.858 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.46 147.8 14.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -169.38 118.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 t -96.61 118.84 33.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.18 -179.79 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.8 OUTLIER -114.18 127.12 71.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.125 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 4.8 ptp180 -93.26 21.9 5.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -153.49 154.12 30.06 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.649 0.738 . . . . 0.0 110.836 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.7 Cg_endo -69.8 158.53 56.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.272 . . . . 0.0 112.362 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm -125.14 147.7 48.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.653 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -95.97 -175.18 3.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.98 71.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -73.0 -48.76 33.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.417 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 41.4 mtp -57.95 -49.38 77.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 13' ' ' ASN . 94.2 t -55.28 -66.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.103 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.635 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.9 t90 -47.54 -35.5 9.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -70.67 -39.21 73.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -36.02 -35.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 34.9 t0 -88.84 -43.61 11.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.593 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.3 OUTLIER -62.49 -57.62 10.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLU . 53.5 ttt-85 -38.06 -46.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.9 mtpt -45.01 -48.0 11.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -66.74 -28.8 68.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 29.1 mt -69.88 -43.66 71.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.88 -50.57 72.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.3 pt20 -65.75 -37.12 85.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.9 mt-30 -69.93 -32.24 70.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.437 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.3 m-80 -134.02 83.44 45.91 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.632 0.729 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -6.7 19.22 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.758 2.305 . . . . 0.0 112.341 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -106.88 -16.84 14.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD12 ' CG ' ' A' ' 30' ' ' ASN . 24.4 mt -86.71 154.39 21.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.851 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 13.3 p80 -116.54 170.63 8.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.4 t30 -34.55 -70.31 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.851 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.27 -38.41 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' HIS . 29.9 mm-40 -79.07 -43.08 24.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.8 mt -59.03 -47.6 84.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.12 -53.88 7.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.821 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -38.44 -31.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.43 ' HE2' ' HA ' ' A' ' 38' ' ' LEU . 6.7 mtm -93.65 -32.08 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD13 ' HB1' ' A' ' 19' ' ' ALA . 95.9 mt -70.62 -25.26 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.15 -46.9 6.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -57.32 -36.57 71.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.04 -28.11 43.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.497 ' CE3' HD12 ' A' ' 49' ' ' LEU . 71.1 t-105 -72.69 -69.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -40.89 -30.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.03 -50.69 46.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.635 HD11 ' NE1' ' A' ' 18' ' ' TRP . 98.3 mt -42.64 155.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.91 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 16.8 p -107.83 170.23 8.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -46.07 -59.53 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.76 -30.84 6.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.141 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -77.92 -35.19 50.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.2 mttp -85.27 -9.7 57.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 2.0 tpt180 -55.03 -50.53 85.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.582 0.705 . . . . 0.0 110.847 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.67 -32.2 19.44 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.708 2.272 . . . . 0.0 112.379 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.52 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.6 m-85 -90.07 -12.05 39.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.0 t -92.49 -36.93 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.88 -16.76 61.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.76 -64.31 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -38.79 -56.37 1.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.714 ' O ' HG13 ' A' ' 66' ' ' VAL . 25.8 tt0 -43.72 -61.54 1.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' C ' HG22 ' A' ' 66' ' ' VAL . 21.6 mtp85 -46.83 -23.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 mt -90.54 -63.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.84 -32.68 6.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.842 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.714 HG13 ' O ' ' A' ' 62' ' ' GLU . 30.4 m -67.0 -39.43 83.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.081 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.417 ' N ' HG23 ' A' ' 66' ' ' VAL . 43.1 mt-30 -64.05 -12.36 37.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.404 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 50.3 t60 -93.4 -37.53 11.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 41.2 mtm -72.94 -44.16 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -55.39 -33.77 63.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -59.96 -31.5 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -144.21 121.88 6.7 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.607 0.718 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.64 -1.62 8.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.699 2.266 . . . . 0.0 112.375 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -41.45 -54.07 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -38.96 156.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.11 103.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 t -98.73 130.91 45.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.97 -177.93 52.02 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.499 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.08 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.3 t -116.89 117.82 30.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.1 t -39.28 -48.09 1.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.805 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.547 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m -151.08 109.24 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.843 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.3 p -81.29 148.6 29.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.0 131.6 6.86 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.534 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -90.75 168.88 11.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -94.38 141.74 28.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.48 -172.35 42.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.3 mp -92.6 122.49 44.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.853 0.358 . . . . 0.0 111.101 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' CB ' ' HD3' ' A' ' 10' ' ' ARG . 55.4 mtt180 -56.13 -57.61 11.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HD3' ' CB ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -147.03 148.99 34.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.574 0.702 . . . . 0.0 110.893 -179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 157.71 59.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -122.04 152.51 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.789 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 p30 -95.92 -174.51 3.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.31 76.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -59.97 -52.46 65.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.425 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 35.8 mmm -54.72 -60.13 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 13' ' ' ASN . 60.4 t -42.21 -69.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.675 ' NE1' HD11 ' A' ' 49' ' ' LEU . 4.3 t90 -47.74 -32.7 6.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 16' ' ' MET . . . -72.27 -35.11 68.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -41.54 -28.75 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -93.06 -51.39 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 1.8 mp0 -58.07 -56.82 17.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -38.23 -44.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -48.29 -46.66 36.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.4 ptm180 -66.66 -33.2 75.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 28.0 mt -66.08 -44.6 84.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.52 -51.14 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -72.29 -35.25 68.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.648 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.2 m-80 -129.58 82.51 67.2 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.623 0.725 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -5.03 15.26 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.689 2.259 . . . . 0.0 112.296 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -108.96 -17.85 13.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.648 HD12 ' CG ' ' A' ' 30' ' ' ASN . 52.1 mt -85.47 160.85 19.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.927 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.7 p80 -121.1 170.73 9.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' HIS . 14.4 t-20 -35.55 -66.21 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.927 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -38.31 -38.15 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.46 ' CG ' HD22 ' A' ' 33' ' ' LEU . 37.8 mm-40 -78.78 -42.31 28.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.452 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 16.5 mt -58.96 -48.71 80.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.18 -54.47 5.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.5 mmtm -36.96 -30.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.5 mtm -93.91 -34.91 12.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' SER . 81.8 mt -67.66 -24.81 65.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.08 -50.98 6.0 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.1 ptpt -56.05 -35.67 67.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.754 0.312 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -78.87 -28.92 44.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.443 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.3 t-105 -68.07 -69.52 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 mtmm -44.24 -38.04 3.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.41 -40.96 83.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.675 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.4 mt -53.44 152.62 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 74.2 p -99.28 166.43 11.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.633 HD11 HH11 ' A' ' 55' ' ' ARG . 2.0 tm? -48.37 -54.2 14.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.08 -32.35 46.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mm-40 -75.26 -32.92 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.4 mttt -84.79 -10.39 57.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.8 tpt180 -55.79 -50.69 85.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.622 0.725 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.71 -29.05 24.72 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.662 2.242 . . . . 0.0 112.381 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.508 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 33.1 m-85 -94.06 -9.86 35.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.8 t -95.0 -34.49 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -80.69 -11.68 59.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.64 -51.99 4.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -58.07 -32.21 67.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -59.46 -40.0 85.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.5 mtp180 -72.0 -47.04 54.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.27 -27.43 67.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 66' ' ' VAL . 0.7 OUTLIER -73.49 -57.4 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 19.6 m -58.19 -24.81 25.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.083 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -67.5 -23.81 65.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' ' NE2' ' A' ' 72' ' ' HIS . 80.7 t60 -86.69 -36.91 18.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 3.9 mtt -74.42 -36.72 63.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -64.09 -35.55 81.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.34 -32.08 73.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.44 ' NE2' ' O ' ' A' ' 68' ' ' HIS . 3.3 p80 -145.06 121.44 6.07 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.45 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 53.6 Cg_endo -69.77 0.47 5.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.318 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -38.99 -48.84 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.45 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 36.9 p90 -47.65 156.75 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -44.21 146.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.904 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.9 t -163.33 166.2 23.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -171.09 -93.74 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 136.67 33.5 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 65.6 m -113.06 -43.83 3.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.4 t -85.09 125.88 33.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.81 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -81.86 89.56 6.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.9 0.381 . . . . 0.0 110.876 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 p -163.01 135.77 5.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.892 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.11 -92.4 2.0 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -165.44 122.47 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.834 0.35 . . . . 0.0 110.817 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -147.85 129.9 15.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.01 -162.13 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.511 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 9' ' ' ARG . 12.6 mt -117.83 157.18 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.874 0.368 . . . . 0.0 111.11 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.4 mmp_? -81.29 -49.0 11.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -110.08 156.22 40.43 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.64 0.733 . . . . 0.0 110.889 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.517 ' HD3' ' CG ' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.75 176.7 6.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 mtm -141.19 155.62 46.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.6 OUTLIER -96.83 177.31 5.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.863 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.95 -41.07 70.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 3.3 t80 -68.34 -39.47 81.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.409 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 26.5 mmm -66.93 -55.38 14.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.441 HG21 ' HB2' ' A' ' 61' ' ' ALA . 85.3 t -48.52 -62.04 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.584 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 4.9 t90 -52.11 -31.51 31.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -72.79 -41.28 65.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.109 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.6 ptmm? -34.33 -35.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.474 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 24.5 t0 -92.51 -44.28 8.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.7 OUTLIER -61.83 -58.68 7.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.492 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.2 ttp85 -41.07 -49.03 3.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mmtt -39.8 -44.24 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.455 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 5.6 ptt85 -70.56 -33.1 70.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 23' ' ' ARG . 21.1 mt -67.16 -46.25 74.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.35 -55.33 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.449 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -60.68 -35.87 77.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.449 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 12.8 mt-30 -72.14 -33.94 68.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.577 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.5 m-80 -130.56 82.58 64.59 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.674 0.75 . . . . 0.0 110.86 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -6.32 18.3 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.686 2.258 . . . . 0.0 112.386 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -107.22 -19.32 13.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.577 HD12 ' CG ' ' A' ' 30' ' ' ASN . 49.3 mt -84.46 155.32 22.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.769 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.1 p80 -118.12 171.39 8.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 50.7 m-20 -33.63 -70.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.769 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.21 -39.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.4 mm-40 -77.82 -42.65 33.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -60.77 -50.39 73.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.4 -54.99 4.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.4 mmtm -35.37 -32.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.3 mtt -93.82 -36.94 12.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.882 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.7 mt -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -76.01 -57.38 4.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.462 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.8 pttt -50.51 -36.02 32.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -79.0 -32.02 44.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.807 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.545 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 68.2 t-105 -69.83 -68.08 0.44 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.0 mtmt -45.03 -32.3 1.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.0 93.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 HD11 ' NE1' ' A' ' 18' ' ' TRP . 70.8 mt -58.28 150.51 21.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.9 p -100.14 167.03 10.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.6 tm? -45.45 -50.64 12.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -27.47 56.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.425 ' OE1' HD23 ' A' ' 49' ' ' LEU . 16.7 mt-10 -82.22 -34.62 28.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.685 ' O ' HG23 ' A' ' 58' ' ' VAL . 27.9 mtpt -87.71 -8.79 55.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.67 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.6 tpt180 -54.74 -50.86 83.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.656 0.741 . . . . 0.0 110.902 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -30.97 21.5 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.697 2.265 . . . . 0.0 112.335 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -92.04 -9.22 43.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.2 t -95.19 -34.45 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -78.83 -12.29 60.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -94.07 -54.82 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.441 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -55.34 -37.49 67.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -59.83 -40.92 90.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' O ' ' NE2' ' A' ' 67' ' ' GLN . 62.6 mtt180 -65.82 -44.48 85.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.8 -42.77 98.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -60.37 -53.76 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.503 HG23 ' NE2' ' A' ' 67' ' ' GLN . 23.0 m -59.55 -40.2 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.503 ' NE2' HG23 ' A' ' 66' ' ' VAL . 1.3 mp0 -63.45 -21.48 66.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.517 ' CG ' ' HD3' ' A' ' 11' ' ' PRO . 83.7 t60 -84.49 -40.94 17.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 mtm -71.71 -39.08 70.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 11.7 pt20 -59.43 -35.85 74.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.95 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 7.9 t70 -61.28 -33.45 73.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -141.25 120.34 8.18 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.61 0.719 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 3.09 2.93 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.357 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -47.87 -43.77 28.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 76' ' ' LYS . 17.7 p90 -50.88 -52.15 44.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 31.0 mtmt -166.02 144.0 5.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.2 t -174.95 131.27 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.04 179.29 38.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 81' ' ' SER . 53.8 Cg_endo -69.74 -9.21 25.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.262 . . . . 0.0 112.366 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.4 m -40.43 92.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 79' ' ' PRO . 5.0 t -41.39 -56.64 2.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -140.95 178.15 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.929 0.395 . . . . 0.0 110.836 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 m -72.29 -63.03 1.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.845 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.95 -49.63 0.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 m -108.09 157.52 18.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.877 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -168.94 168.83 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.47 178.73 0.24 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.83 141.16 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 111.117 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.6 ttm180 -92.82 -29.01 16.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -153.41 150.34 23.33 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.633 0.73 . . . . 0.0 110.838 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.419 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.71 -177.21 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.2 mtm -146.39 153.35 40.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.7 p30 -97.06 -174.52 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.32 -45.02 84.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.82 -51.47 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.426 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 35.2 mmm -55.55 -58.09 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 13' ' ' ASN . 58.0 t -44.68 -69.77 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.126 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.852 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.0 t90 -45.17 -32.76 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' LYS . . . -74.53 -36.27 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ALA . 4.0 ptmm? -36.44 -34.64 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 19' ' ' ALA . 36.5 t0 -93.02 -41.27 10.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.58 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.2 OUTLIER -64.02 -58.02 7.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.891 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.459 ' HA ' HD21 ' A' ' 42' ' ' LEU . 21.3 ttm180 -38.05 -51.28 1.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.0 mtpt -44.55 -44.53 8.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.7 ptt85 -64.27 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 38' ' ' LEU . 25.9 mt -70.95 -45.11 64.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.02 -50.8 69.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.439 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.3 pt20 -65.07 -34.44 78.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.439 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 22.6 mt-30 -75.04 -30.98 61.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.486 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.7 m-80 -133.67 83.3 48.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.909 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.15 17.9 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.719 2.279 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.37 -18.05 13.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.486 HD12 ' CG ' ' A' ' 30' ' ' ASN . 32.9 mt -85.71 155.21 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.972 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.769 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.0 p80 -117.85 171.1 8.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 16.2 t-20 -33.83 -70.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.769 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.75 -39.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.9 mm-40 -77.87 -41.74 35.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.512 ' HB3' HD12 ' A' ' 26' ' ' LEU . 13.1 mt -61.38 -48.63 80.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.08 -55.65 4.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.4 mmtt -35.75 -30.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtt -94.74 -36.76 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 97.6 mt -65.0 -22.09 66.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.77 -52.52 3.66 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -54.32 -33.8 59.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.6 m -80.47 -30.78 37.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.581 ' CZ2' ' HE3' ' A' ' 54' ' ' LYS . 66.2 t-105 -67.01 -68.5 0.37 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -45.34 -32.77 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.21 -37.65 88.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.852 HD11 ' NE1' ' A' ' 18' ' ' TRP . 90.1 mt -56.49 155.13 7.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 69.4 p -103.87 158.87 16.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.194 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -40.49 -55.69 2.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.75 -33.99 37.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.142 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.487 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 10.2 mm-40 -75.85 -28.16 58.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 35.9 mtpt -88.81 -9.7 50.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -55.42 -50.65 85.57 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.5 Cg_endo -69.81 -30.56 21.85 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 27.8 m-85 -92.04 -10.82 37.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.21 -36.5 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -79.25 -14.34 59.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -87.64 -52.65 5.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -57.18 -34.43 68.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.098 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -58.31 -39.95 80.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 26.7 mtp85 -70.27 -42.08 72.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.6 mt -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -58.94 -56.39 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 63' ' ' ARG . 15.8 m -55.69 -36.31 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -65.3 -16.26 63.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.419 ' ND1' ' HD3' ' A' ' 11' ' ' PRO . 63.3 t60 -97.14 -33.92 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 45.4 mtm -70.61 -48.78 53.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -51.29 -32.38 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.43 -32.64 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 68' ' ' HIS . 3.2 p80 -141.71 120.6 7.93 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.66 0.743 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.541 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 53.9 Cg_endo -69.72 -5.79 17.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -42.6 -35.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.541 ' CE2' ' HA ' ' A' ' 73' ' ' PRO . 2.0 p90 -44.93 170.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 77' ' ' SER . 0.0 OUTLIER -74.46 -34.92 63.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.447 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 2.1 m -171.03 168.65 6.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -153.92 -157.99 8.4 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 86.12 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.65 2.233 . . . . 0.0 112.358 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.8 t -99.37 90.99 4.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.1 p -140.16 147.65 40.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 3' ' ' SER . 3.3 m -67.23 82.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 2' ' ' SER . 35.4 t 34.63 41.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.0 -83.81 0.28 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t 56.66 43.33 25.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.7 m -72.52 132.75 44.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.42 147.84 8.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.8 mp -124.88 121.72 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 111.12 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.4 mtp180 -59.47 -59.83 4.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.3 155.56 79.75 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.632 0.729 . . . . 0.0 110.824 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 179.57 3.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.634 2.222 . . . . 0.0 112.37 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.449 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 4.3 mtm -140.33 154.13 46.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.796 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -95.93 -173.94 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.48 78.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -64.96 -50.2 67.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.449 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 88.6 mtp -53.79 -48.98 69.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 13' ' ' ASN . 56.3 t -58.85 -65.49 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.642 ' NE1' HD11 ' A' ' 49' ' ' LEU . 7.9 t90 -48.28 -30.13 4.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.562 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -70.74 -40.3 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -39.61 -32.84 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.6 t0 -92.68 -59.11 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.567 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -45.64 -57.71 3.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 26' ' ' LEU . 22.6 ttp180 -39.02 -51.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt -41.74 -42.68 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 2.8 ptm180 -69.64 -32.16 70.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 23' ' ' ARG . 31.7 mt -69.41 -44.17 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.38 73.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 4.8 pt20 -64.63 -34.69 78.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.445 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 23.6 mt-30 -73.16 -35.15 66.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.581 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.3 m-80 -128.81 83.74 65.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.666 0.746 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.6 19.0 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -107.42 -16.87 14.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.581 HD12 ' CG ' ' A' ' 30' ' ' ASN . 41.5 mt -87.04 156.44 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.884 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 11.9 p80 -118.37 170.85 8.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 38' ' ' LEU . 77.3 m-20 -34.97 -68.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.884 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -35.37 -38.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.8 mm-40 -79.37 -44.19 22.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 13.9 mt -57.92 -48.37 80.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.19 -54.55 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 39' ' ' SER . 18.3 mmtm -37.12 -31.54 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.4 mtt -93.51 -34.67 13.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.562 HD13 ' HB1' ' A' ' 19' ' ' ALA . 84.0 mt -64.04 -25.6 68.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.49 -53.11 4.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -39.19 72.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.817 0.341 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.0 m -74.0 -29.2 61.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.428 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.0 t-105 -68.09 -69.61 0.31 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtmm -45.87 -37.46 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.88 80.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.642 HD11 ' NE1' ' A' ' 18' ' ' TRP . 84.8 mt -51.28 159.07 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.92 169.64 8.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.1 tm? -49.58 -57.09 7.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.97 -32.08 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -74.32 -36.18 63.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 32.8 mttp -85.36 -9.63 57.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.671 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -54.88 -50.63 85.05 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.612 0.72 . . . . 0.0 110.911 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.7 Cg_endo -69.74 -31.82 19.85 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.344 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.69 -10.72 42.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 15.2 t -93.73 -38.36 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -76.4 -11.08 59.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -90.78 -59.21 2.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.77 -41.27 43.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -52.6 -58.42 6.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' HB3' ' NE2' ' A' ' 67' ' ' GLN . 44.2 mtt180 -47.99 -42.78 28.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.877 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.26 -46.11 81.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -58.35 -58.81 6.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.429 ' HA ' ' CG ' ' A' ' 69' ' ' MET . 27.5 m -55.88 -29.6 26.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 63' ' ' ARG . 46.1 mt-30 -75.94 -13.68 60.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -96.07 -36.33 11.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.429 ' CG ' ' HA ' ' A' ' 66' ' ' VAL . 0.1 OUTLIER -81.2 -27.26 35.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -59.44 -35.17 73.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -62.78 -27.87 69.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -149.19 119.68 4.08 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -0.43 6.88 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.73 2.287 . . . . 0.0 112.396 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -54.99 -16.59 2.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' CG ' ' N ' ' A' ' 76' ' ' LYS . 12.8 p90 -72.59 -53.67 11.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.58 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 8.1 mtpt -172.91 104.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 78' ' ' GLY . 1.5 m -134.97 98.4 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 77' ' ' SER . . . 36.05 61.54 0.78 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -16.74 37.47 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.3 t -118.49 -55.46 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 21.8 m -161.55 159.16 27.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -82.98 -50.0 9.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.378 . . . . 0.0 110.881 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.4 m -37.85 154.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.53 86.49 0.1 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -78.74 155.48 29.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 m -126.69 95.94 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.83 152.82 5.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.3 mt -134.17 143.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' C ' ' HD3' ' A' ' 10' ' ' ARG . 12.2 ttm180 -63.55 -37.34 86.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -117.62 154.21 50.74 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.869 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.416 ' C ' ' HG2' ' A' ' 12' ' ' MET . 54.3 Cg_endo -69.72 -171.52 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.416 ' HG2' ' C ' ' A' ' 11' ' ' PRO . 2.1 mtm -144.51 146.98 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.586 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -97.84 -174.04 2.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.16 -42.4 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.083 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -70.81 -47.14 61.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.409 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 71.4 mtp -57.53 -51.37 69.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 13' ' ' ASN . 93.9 t -53.97 -64.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.557 ' CZ2' ' HG2' ' A' ' 22' ' ' GLU . 5.8 t90 -50.31 -29.81 10.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -73.86 -36.64 64.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.3 ptmm? -39.92 -32.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 10.1 t70 -90.36 -51.03 5.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.557 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 4.2 mp0 -59.19 -58.42 8.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -38.32 -45.49 1.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.61 -46.17 48.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 10.9 ptt180 -64.75 -33.29 75.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD12 ' HB3' ' A' ' 38' ' ' LEU . 24.8 mt -67.77 -44.75 76.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.03 -49.84 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.0 pt20 -66.14 -36.25 82.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.8 mt-30 -72.03 -31.83 66.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.611 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.9 m-80 -133.32 82.65 52.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.647 0.737 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.21 18.09 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.347 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -107.54 -17.9 13.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.611 HD12 ' CG ' ' A' ' 30' ' ' ASN . 54.4 mt -86.15 156.29 20.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.777 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.2 p80 -118.61 171.67 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 38' ' ' LEU . 10.3 t-20 -33.98 -70.0 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.777 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.33 -39.53 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' CD ' HD22 ' A' ' 33' ' ' LEU . 29.1 mm-40 -78.29 -42.5 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.4 mt -61.19 -48.19 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -44.32 -55.01 5.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 27.4 mmtt -36.71 -30.54 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.9 mtt -95.09 -34.8 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 39' ' ' SER . 92.3 mt -68.05 -24.47 65.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.4 -51.04 5.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.528 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 45' ' ' SER . 58.2 pttt -53.27 -37.28 62.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.765 0.316 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 4.1 m -78.49 -31.3 47.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.799 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.436 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.49 -68.3 0.39 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.2 mtmt -43.67 -37.78 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.09 91.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.475 HD11 ' NE1' ' A' ' 18' ' ' TRP . 85.9 mt -46.39 152.16 0.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.2 p -98.69 174.96 6.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.766 HD11 HH11 ' A' ' 55' ' ' ARG . 3.2 tm? -53.67 -53.75 47.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.82 -28.65 51.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.507 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 22.3 mm-40 -75.53 -36.14 60.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 58' ' ' VAL . 49.5 mttt -84.62 -11.69 55.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.766 HH11 HD11 ' A' ' 51' ' ' LEU . 4.7 tpt180 -55.78 -50.16 88.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.611 0.72 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.75 -31.28 20.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.691 2.261 . . . . 0.0 112.365 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.507 ' CD2' ' O ' ' A' ' 53' ' ' GLU . 29.9 m-85 -90.93 -12.77 35.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.3 t -92.06 -37.64 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.133 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.41 -14.65 61.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -91.09 -64.79 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.586 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -37.94 -58.98 0.88 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.052 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 66' ' ' VAL . 9.1 tt0 -36.91 -64.22 0.37 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' O ' HG22 ' A' ' 66' ' ' VAL . 37.4 mtp180 -43.62 -34.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 61' ' ' ALA . 7.8 mt -79.56 -56.72 4.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' HD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -50.46 -35.14 27.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' ARG . 22.1 m -75.05 -26.16 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -72.56 -21.45 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -84.63 -45.37 12.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 mtm -68.33 -44.91 74.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -56.6 -29.79 62.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.24 -22.65 64.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -152.66 120.85 3.17 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.606 0.717 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 4.54 2.13 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.719 2.279 . . . . 0.0 112.344 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -75.7 48.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.491 ' CG ' ' N ' ' A' ' 76' ' ' LYS . 42.4 p90 -134.19 -51.56 0.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 4.4 mtmp? -167.38 105.51 0.54 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.8 m -164.12 119.91 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.82 144.04 5.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 128.1 15.54 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.714 2.276 . . . . 0.0 112.316 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' SER . 46.8 m -97.08 95.04 7.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' SER . 44.9 m 37.75 39.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.907 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -122.92 96.65 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.866 0.365 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -86.32 92.73 8.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.13 -127.74 45.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 t -153.85 138.63 17.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 t -159.25 156.13 28.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.46 -136.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 86.7 mt -130.85 131.43 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.84 0.352 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.432 ' HD3' ' CD ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -83.38 -65.13 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' CD ' ' HD3' ' A' ' 9' ' ' ARG . 38.4 mmm-85 -114.84 151.35 45.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 173.58 10.73 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.233 . . . . 0.0 112.353 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.8 mtm -134.34 143.12 47.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.759 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.9 p30 -95.58 -174.65 3.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.32 -47.43 75.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.105 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -62.02 -51.49 67.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.468 ' HG3' ' ND2' ' A' ' 13' ' ' ASN . 11.2 mtp -57.39 -59.72 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 13' ' ' ASN . 66.4 t -42.77 -68.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.841 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.0 t90 -50.48 -33.44 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.613 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -69.78 -32.06 70.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -45.9 -24.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.948 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.82 -49.64 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.595 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 65.4 mm-40 -61.9 -55.57 28.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.536 ' N ' HD21 ' A' ' 42' ' ' LEU . 19.1 ttp180 -37.8 -52.26 1.29 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.3 mtpp -43.39 -45.39 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -66.22 -34.06 77.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.5 mt -67.2 -43.64 81.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.94 -52.76 61.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -63.3 -37.97 89.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 4.6 mt-30 -70.62 -31.8 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.613 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.3 m-80 -133.09 81.82 55.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.584 0.707 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -5.4 16.11 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.32 -18.66 13.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.613 HD12 ' CG ' ' A' ' 30' ' ' ASN . 54.1 mt -84.98 155.25 21.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.794 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 11.2 p80 -117.73 172.45 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' LEU . 13.6 m-20 -34.58 -70.09 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.794 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -33.73 -38.38 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.095 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.0 mm-40 -79.35 -43.44 23.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.504 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.3 mt -61.34 -47.56 85.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -39.02 -65.12 0.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 39' ' ' SER . 20.4 mtmt -34.11 -47.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.414 ' HB2' HD13 ' A' ' 26' ' ' LEU . 13.9 mtm -69.71 -40.4 76.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.613 HD13 ' HB1' ' A' ' 19' ' ' ALA . 85.4 mt -66.75 -24.75 66.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -54.87 5.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.471 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 45' ' ' SER . 16.5 pttp -49.98 -41.45 46.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 12.2 m -74.63 -29.71 61.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.487 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -70.47 -68.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 mtmt -42.19 -33.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.31 96.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.073 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.841 HD11 ' NE1' ' A' ' 18' ' ' TRP . 88.9 mt -54.94 146.65 17.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 81.3 p -97.24 170.6 8.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -48.42 -56.08 9.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.99 -30.98 27.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.081 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 6.6 mm-40 -77.52 -34.2 54.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.679 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.0 mtpt -85.94 -9.5 56.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.669 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 0.9 OUTLIER -54.65 -51.04 82.13 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.85 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.3 Cg_endo -69.72 -31.9 19.8 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.487 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.9 m-85 -90.26 -10.91 42.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 54' ' ' LYS . 17.4 t -94.25 -34.3 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -81.47 -10.76 59.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -93.36 -52.22 4.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.58 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -56.35 -39.37 72.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -53.42 -38.27 63.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 mtp180 -72.15 -39.51 68.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 29.8 mt -65.21 -41.23 94.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -61.01 -53.23 59.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 m -60.95 -31.48 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -65.14 -23.8 67.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -84.1 -35.68 23.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 10.4 mtm -72.49 -42.93 64.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -55.17 -34.28 63.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -62.65 -33.83 75.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -144.76 121.18 6.17 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.72 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.522 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 53.4 Cg_endo -69.77 -0.45 6.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.275 . . . . 0.0 112.298 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' A' ' 73' ' ' PRO . 2.4 m-80 -36.46 -48.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.522 ' CE2' ' HA ' ' A' ' 73' ' ' PRO . 51.9 p90 -46.38 169.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -72.79 96.17 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 50.5 m -54.38 118.94 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.76 146.26 10.45 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 156.77 62.48 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 81' ' ' SER . 1.9 m -74.55 176.78 6.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 80' ' ' SER . 1.8 m 37.4 48.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.449 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 1' ' ' GLY . 25.9 m 35.84 36.55 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.89 0.376 . . . . 0.0 110.814 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -95.81 -52.05 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.16 148.02 23.18 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 p -163.96 151.24 12.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.8 t -92.72 -64.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.433 ' C ' HD12 ' A' ' 8' ' ' ILE . . . -91.61 -133.75 6.03 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.468 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 8' ' ' ILE . 4.5 mp -133.43 143.72 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.341 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.444 ' C ' ' O ' ' A' ' 8' ' ' ILE . 51.8 mtm-85 -34.19 -64.98 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.515 ' CD ' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -175.42 162.8 2.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.617 0.723 . . . . 0.0 110.881 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 172.19 13.05 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.676 2.25 . . . . 0.0 112.38 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.484 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 2.0 mtm -144.69 157.86 44.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.532 ' HA ' ' HB1' ' A' ' 61' ' ' ALA . 1.8 p30 -101.64 179.42 4.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.37 -43.2 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.094 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -62.01 -53.52 54.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.484 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 80.0 mtp -58.61 -62.03 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.478 HG21 ' HB2' ' A' ' 61' ' ' ALA . 73.8 t -39.04 -61.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.581 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.3 t90 -58.52 -25.67 62.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -77.71 -32.37 52.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.115 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 ptmt -44.51 -30.11 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -93.74 -46.19 7.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.5 mm-40 -61.96 -61.11 2.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 26' ' ' LEU . 16.9 ttp85 -38.06 -47.93 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt -41.57 -46.02 3.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.3 ptm180 -67.24 -32.87 74.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.445 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 27.0 mt -68.05 -45.87 72.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.15 -50.24 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -66.62 -33.29 75.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -74.41 -32.32 62.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.556 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.7 m-80 -132.02 83.27 56.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.675 0.75 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.52 18.8 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.72 2.28 . . . . 0.0 112.337 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -107.33 -17.18 14.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.556 HD12 ' CG ' ' A' ' 30' ' ' ASN . 40.0 mt -86.42 155.93 20.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.829 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.1 p80 -118.45 171.3 8.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' LEU . 5.7 t-20 -34.86 -69.45 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.829 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.39 -38.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' CG ' HD22 ' A' ' 33' ' ' LEU . 12.8 mm-40 -79.82 -43.24 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' ' 35' ' ' ASN . 16.3 mt -60.38 -48.09 83.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -43.71 -55.67 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.9 mmtt -36.7 -31.76 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.47 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.6 mtm -92.91 -35.36 13.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.0 mt -67.68 -21.79 65.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.07 -49.62 4.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.457 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 45' ' ' SER . 11.7 ptpt -54.59 -37.51 65.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.326 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.415 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 6.6 m -78.23 -28.76 47.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.437 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 72.1 t-105 -72.89 -69.45 0.41 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -42.08 -34.64 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.9 -41.78 97.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.49 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -52.38 160.57 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.4 p -106.93 176.32 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD13 ' C ' ' A' ' 51' ' ' LEU . 2.9 tm? -54.1 -58.62 6.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.18 -31.71 21.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.73 -35.49 70.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 24.4 mttp -86.1 -7.42 58.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.672 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.5 tpt180 -56.37 -50.8 85.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.545 0.688 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.3 Cg_endo -69.79 -28.16 25.43 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.481 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 42.4 m-85 -94.76 -11.13 29.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.4 t -93.01 -36.72 7.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.5 -10.94 59.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -95.6 -58.46 2.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.532 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -46.7 -46.05 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -49.12 -58.86 4.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 mtp180 -48.23 -49.16 34.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -56.02 -48.72 75.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -56.51 -59.73 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 29.3 m -56.03 -30.57 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -69.68 -23.51 63.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -86.93 -38.22 16.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.58 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 18.5 mtm -71.31 -40.8 70.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -55.71 -30.81 61.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -61.92 -19.78 63.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.6 p80 -152.87 121.07 3.14 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.58 0.705 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 77' ' ' SER . 53.5 Cg_endo -69.79 5.2 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 0.0 112.329 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' A' ' 75' ' ' TYR . 3.1 m-80 -51.08 -70.39 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.595 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 1.4 p90 -32.99 -54.48 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.595 ' HG2' ' CD2' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -178.62 127.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.463 ' HB3' ' CB ' ' A' ' 73' ' ' PRO . 21.7 p -133.2 86.69 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.817 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.73 -158.39 14.7 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.487 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 111.22 2.75 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.684 2.256 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 73.8 p -61.66 117.45 5.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.822 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -123.98 156.21 36.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.49 -179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 1' ' ' GLY . 27.1 p -36.38 -55.44 0.82 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.923 0.392 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 p -85.54 -54.4 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.31 94.47 1.86 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.464 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -88.3 93.06 9.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -134.5 175.87 9.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.57 -144.26 11.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 61.5 mt -129.37 109.81 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -74.23 -40.87 62.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -137.45 149.89 66.8 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.635 0.731 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HG3' ' CB ' ' A' ' 68' ' ' HIS . 53.3 Cg_endo -69.79 172.61 12.35 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.671 2.248 . . . . 0.0 112.343 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.482 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 5.3 mtm -136.42 144.62 44.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.691 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -87.71 -177.78 5.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.7 -40.98 89.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.119 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -69.6 -43.96 71.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.603 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 24.4 mmm -59.26 -54.75 43.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.691 HG23 ' O ' ' A' ' 13' ' ' ASN . 48.8 t -51.19 -68.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.659 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.9 t90 -46.63 -35.31 5.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.959 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -66.82 -36.3 82.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.113 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 17' ' ' VAL . 1.1 ptmm? -42.92 -30.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 29.9 t0 -92.42 -25.08 18.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.57 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.9 mp0 -88.08 -60.03 2.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.591 ' N ' HD21 ' A' ' 42' ' ' LEU . 55.3 ttt-85 -46.38 -38.08 8.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 3.0 ptmt -62.03 -33.19 73.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.488 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.2 ptm180 -82.83 -14.16 54.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 48.3 mt -81.69 -41.16 21.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.38 -48.15 74.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.033 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.452 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.6 pt20 -68.32 -38.67 81.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.885 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 17.5 mt-30 -67.69 -33.37 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.522 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.3 m-80 -132.54 82.77 56.0 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.639 0.733 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -5.22 15.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -108.33 -17.14 14.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.522 HD12 ' CG ' ' A' ' 30' ' ' ASN . 36.9 mt -86.48 158.26 19.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.813 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.8 p80 -120.72 169.75 10.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.477 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.5 m-20 -33.24 -70.37 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.813 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.83 -39.81 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.136 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' HIS . 54.2 mm-40 -77.74 -42.79 33.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.0 mt -61.14 -50.73 72.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -42.37 -55.95 3.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 39' ' ' SER . 22.0 mmtt -35.08 -34.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.456 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.7 mtt -88.72 -39.15 14.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD21 ' N ' ' A' ' 23' ' ' ARG . 67.7 mt -63.84 -25.95 68.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.97 -56.97 3.14 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.463 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.46 -36.58 61.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.739 0.304 . . . . 0.0 110.857 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.1 m -77.07 -31.39 56.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.83 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.445 ' CE3' HD12 ' A' ' 49' ' ' LEU . 61.4 t-105 -69.03 -69.53 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.03 -36.38 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.84 70.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.659 HD11 ' NE1' ' A' ' 18' ' ' TRP . 97.2 mt -58.98 157.53 9.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.5 p -104.5 167.08 9.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.695 HD11 HH11 ' A' ' 55' ' ' ARG . 2.2 tm? -45.66 -54.78 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.06 -32.59 55.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.088 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -75.29 -34.42 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.68 ' O ' HG23 ' A' ' 58' ' ' VAL . 62.9 mttt -85.39 -9.36 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.695 HH11 HD11 ' A' ' 51' ' ' LEU . 4.3 tpt180 -55.7 -50.66 85.78 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.853 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.76 -29.13 24.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.524 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.0 m-85 -94.23 -9.39 36.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.5 t -94.67 -36.95 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -78.18 -11.38 59.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -90.69 -51.24 5.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 12' ' ' MET . . . -59.17 -27.0 65.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.871 ' O ' HG13 ' A' ' 66' ' ' VAL . 11.4 tt0 -68.02 -40.73 82.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' VAL . 59.5 mtp85 -68.48 -38.25 80.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.0 mt -76.49 -39.88 51.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.428 ' HA ' ' CB ' ' A' ' 11' ' ' PRO . 0.0 OUTLIER -64.01 -43.06 96.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.871 HG13 ' O ' ' A' ' 62' ' ' GLU . 18.5 m -66.32 -24.8 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -73.06 -15.64 61.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 58.9 t60 -89.66 -39.27 13.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 29.5 mtm -73.72 -39.47 64.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 17.2 pt20 -56.36 -39.0 72.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 3.5 m-20 -58.57 -39.62 80.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -136.76 120.68 12.29 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.581 0.705 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 54.0 Cg_endo -69.76 0.81 5.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.662 2.241 . . . . 0.0 112.315 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -47.48 -35.67 9.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 30.9 p90 -52.88 138.23 30.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -49.49 147.33 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.6 t 64.41 38.82 7.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -76.78 -84.76 0.45 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.465 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 168.1 22.54 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.698 2.266 . . . . 0.0 112.377 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.2 p -170.0 142.31 2.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.0 t -127.47 82.06 2.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -180.0 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -111.93 40.98 2.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.378 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p 40.16 42.13 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.84 -140.14 1.09 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 m -113.09 160.73 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.922 0.392 . . . . 0.0 110.821 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -96.58 165.61 12.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.85 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.461 ' C ' HD13 ' A' ' 8' ' ' ILE . . . 124.03 139.01 5.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.455 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.461 HD13 ' C ' ' A' ' 7' ' ' GLY . 5.0 mm -101.07 150.1 5.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 111.082 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.58 -41.87 12.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 1.2 mpt_? -99.17 155.27 36.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 110.816 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.521 ' HD3' ' CG ' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.82 154.56 67.35 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.661 2.241 . . . . 0.0 112.357 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.452 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.9 mtm -119.63 151.41 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.672 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.1 p-10 -92.6 -176.06 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.28 -44.37 79.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -65.59 -48.29 72.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.452 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 73.3 mtp -58.01 -50.23 74.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 13' ' ' ASN . 93.4 t -54.95 -64.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.135 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.563 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 6.0 t90 -52.0 -30.83 26.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.767 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -72.07 -36.84 69.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.077 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -38.48 -36.83 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -92.17 -57.64 2.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HB3' HD22 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -43.64 -56.33 3.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 -179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.545 ' HA ' HD21 ' A' ' 42' ' ' LEU . 12.7 ttt-85 -41.26 -51.17 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 mtpm? -40.48 -40.39 1.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.2 ptt85 -70.06 -34.43 73.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD13 ' HB2' ' A' ' 41' ' ' MET . 17.1 mt -66.04 -47.02 75.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.927 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.53 -56.25 18.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.2 pt20 -59.75 -36.21 76.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 7.5 mt-30 -73.5 -29.17 62.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.793 ' CG ' HD12 ' A' ' 33' ' ' LEU . 63.5 m-80 -134.84 82.83 42.69 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -5.47 16.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.686 2.258 . . . . 0.0 112.392 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -108.39 -19.64 13.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.793 HD12 ' CG ' ' A' ' 30' ' ' ASN . 86.0 mt -83.65 151.71 25.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.895 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.0 p80 -112.99 170.18 8.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.2 m120 -35.87 -69.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.895 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -33.6 -37.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.08 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.499 ' HG3' HD22 ' A' ' 33' ' ' LEU . 20.7 mm-40 -80.73 -43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.4 mt -61.25 -43.2 99.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -44.05 -66.49 0.38 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.803 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' SER . 9.1 mttm -33.87 -43.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.554 ' HB2' HD13 ' A' ' 26' ' ' LEU . 20.7 mtm -68.44 -45.13 73.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.767 HD13 ' HB1' ' A' ' 19' ' ' ALA . 76.1 mt -61.66 -23.08 65.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.84 -57.78 4.0 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.483 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -51.02 -35.87 36.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.797 0.332 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 m -77.96 -30.67 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.628 ' HZ2' ' HZ3' ' A' ' 54' ' ' LYS . 65.8 t-105 -70.12 -69.57 0.34 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mtmt -44.08 -32.13 1.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.67 -38.61 91.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.08 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD11 ' NE1' ' A' ' 18' ' ' TRP . 85.3 mt -57.37 152.6 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.4 p -98.98 170.83 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.706 HD11 HH11 ' A' ' 55' ' ' ARG . 2.3 tm? -49.55 -57.3 7.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.925 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.97 -33.08 23.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -73.88 -34.15 64.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 58' ' ' VAL . 4.3 mtpm? -87.08 -7.42 58.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.706 HH11 HD11 ' A' ' 51' ' ' LEU . 4.2 tpt180 -55.94 -50.64 86.07 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.672 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.1 Cg_endo -69.81 -28.34 25.11 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.635 2.223 . . . . 0.0 112.303 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.443 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 41.2 m-85 -95.19 -9.32 33.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.6 t -94.4 -37.52 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -78.03 -10.23 59.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -93.23 -50.35 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -59.19 -30.73 68.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.073 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -64.56 -40.63 95.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -65.98 -39.71 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.1 mt -68.59 -28.93 67.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 66' ' ' VAL . 6.1 ttm180 -72.15 -56.01 6.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' N ' ' HG2' ' A' ' 65' ' ' ARG . 11.3 m -56.66 -27.13 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.11 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.432 ' O ' ' N ' ' A' ' 70' ' ' GLN . 32.8 mt-30 -69.91 -56.88 5.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.521 ' CG ' ' HD3' ' A' ' 11' ' ' PRO . 80.1 t60 -41.93 -26.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.575 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 52.1 mtt -79.63 -41.38 27.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' GLN . 5.5 pt20 -45.21 -35.56 3.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -60.93 -38.56 86.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -138.28 120.84 10.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 2.75 3.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -51.5 -33.6 32.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.575 ' CD1' ' HB3' ' A' ' 69' ' ' MET . 7.8 p90 -62.51 -49.09 76.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 19.7 mtmt -157.96 140.1 14.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.5 t -171.35 154.85 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.63 88.27 0.38 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 2.89 3.1 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.759 2.306 . . . . 0.0 112.33 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.6 m -63.04 125.39 23.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.828 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 m -109.81 -45.06 3.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.467 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t -82.72 168.13 17.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.6 m -98.49 -54.84 2.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.82 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.52 161.02 28.32 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -100.85 148.29 25.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.907 0.384 . . . . 0.0 110.801 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -62.97 166.42 5.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.7 -175.21 30.84 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 mt -128.3 139.18 52.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.804 0.335 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -58.56 -51.86 68.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 9' ' ' ARG . 21.4 mmm-85 -107.73 151.54 41.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.628 0.728 . . . . 0.0 110.857 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.402 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 53.4 Cg_endo -69.8 177.72 5.32 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.659 2.239 . . . . 0.0 112.358 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.485 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.0 mtm -139.62 163.12 33.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.818 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -106.06 -174.28 2.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.41 -43.76 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -62.44 -53.2 58.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.485 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 84.1 mtp -54.67 -59.71 4.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 13' ' ' ASN . 38.9 t -43.77 -70.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.585 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 5.1 t90 -42.42 -39.74 2.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -66.66 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' NZ ' ' CE ' ' A' ' 12' ' ' MET . 0.1 OUTLIER -36.84 -34.99 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -93.64 -45.16 7.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.585 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mm-40 -61.1 -58.26 9.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' GLU . 34.8 ttt180 -38.03 -48.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.9 mttt -45.84 -46.67 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -64.39 -28.78 69.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.47 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 30.2 mt -70.89 -44.3 66.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.05 -51.06 69.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.126 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.4 pt20 -65.02 -33.93 77.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.4 mt-30 -74.65 -30.82 61.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -134.33 83.34 44.33 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.638 0.732 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -4.95 15.07 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -108.26 -18.46 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD22 ' CD ' ' A' ' 37' ' ' GLU . 23.0 mt -85.52 157.94 20.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.98 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.0 p80 -122.17 172.6 8.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -32.56 -72.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.98 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -35.96 -40.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.068 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.513 ' CD ' HD22 ' A' ' 33' ' ' LEU . 10.2 mm-40 -76.0 -40.0 54.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.507 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 16.2 mt -63.54 -48.76 76.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -43.97 -55.09 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.1 mmtt -36.23 -30.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.507 ' HE3' ' HA ' ' A' ' 38' ' ' LEU . 7.1 mtm -93.38 -36.62 12.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 95.7 mt -65.15 -25.73 67.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -77.19 -56.8 3.87 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.543 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -34.66 29.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.1 m -79.89 -29.32 39.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.46 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 64.5 t-105 -68.12 -69.13 0.34 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.4 mtmm -44.8 -38.94 4.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.0 -36.45 70.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.079 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD11 ' NE1' ' A' ' 18' ' ' TRP . 76.4 mt -60.09 159.92 8.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -108.04 171.31 7.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -50.2 -59.28 4.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.02 -31.82 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -76.43 -34.23 58.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.5 mtpt -86.63 -8.61 57.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.671 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -55.2 -50.87 84.1 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.602 0.715 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.0 Cg_endo -69.71 -30.95 21.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.662 2.241 . . . . 0.0 112.378 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.423 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 40.0 m-85 -91.55 -10.79 39.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.5 t -93.35 -37.29 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -76.24 -12.87 60.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -90.16 -58.95 2.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.556 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -50.34 -41.0 50.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -55.68 -36.73 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -69.67 -37.9 76.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.55 -40.46 84.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -63.42 -56.4 16.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.44 ' HA ' ' CG ' ' A' ' 69' ' ' MET . 24.1 m -54.5 -34.38 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.24 -14.15 61.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.402 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 29.4 t60 -95.13 -43.07 8.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.44 ' CG ' ' HA ' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -72.52 -27.19 62.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 71' ' ' ASP . 15.1 pt20 -67.4 -37.07 82.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 70' ' ' GLN . 76.5 m-20 -61.06 -27.85 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -145.37 119.98 5.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.536 0.684 . . . . 0.0 110.847 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 0.1 6.14 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.695 2.264 . . . . 0.0 112.317 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -43.14 -42.83 4.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' CD2' ' O ' ' A' ' 76' ' ' LYS . 15.7 p90 -54.63 162.01 1.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -69.38 174.23 5.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.866 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.466 ' N ' ' HD3' ' A' ' 76' ' ' LYS . 32.7 p -144.27 147.9 34.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -140.19 -166.4 10.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 143.94 52.16 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.8 p -91.47 -49.19 6.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.3 m -48.28 130.92 16.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.928 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 56.68 44.19 24.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.8 t -113.16 105.96 14.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.07 -166.72 26.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -132.85 133.21 43.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.903 0.383 . . . . 0.0 110.86 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.7 p -138.76 163.07 33.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.59 -160.71 0.47 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mt -120.05 135.3 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 111.124 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' CG ' ' HD3' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -61.35 -53.41 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.845 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' HD3' ' CG ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -154.23 151.22 23.83 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.626 0.727 . . . . 0.0 110.879 -179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 163.24 39.05 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.417 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 3.8 mtm -122.61 151.68 41.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.723 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -99.39 -173.83 2.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.9 -46.24 74.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -64.78 -50.74 65.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.417 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 66.2 mtp -56.59 -54.5 45.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 13' ' ' ASN . 82.4 t -50.13 -68.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.593 ' NE1' HD11 ' A' ' 49' ' ' LEU . 5.7 t90 -46.94 -33.1 4.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.5 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -75.2 -31.13 60.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.039 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -38.81 -36.6 0.28 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -93.17 -44.06 8.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.586 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 16.6 mm-40 -58.46 -58.69 7.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.479 ' N ' HD21 ' A' ' 42' ' ' LEU . 47.1 ttt180 -41.04 -45.2 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.1 mmmt -47.94 -40.94 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.462 ' NH1' HD21 ' A' ' 26' ' ' LEU . 4.6 ptt-85 -72.08 -26.35 62.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.495 HD13 ' HB2' ' A' ' 41' ' ' MET . 21.6 mt -71.85 -44.09 64.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.82 -49.0 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.1 pt20 -66.26 -37.41 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.462 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 11.3 mt-30 -70.16 -32.1 69.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.511 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.7 m-80 -132.7 83.98 51.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.37 18.42 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.347 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.56 -16.79 14.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.511 HD12 ' CG ' ' A' ' 30' ' ' ASN . 37.7 mt -87.85 149.96 23.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.933 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 12.2 p80 -110.76 170.92 7.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' LEU . 58.7 t30 -37.1 -69.49 0.11 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.933 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.05 -36.2 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' ASN . 77.9 mm-40 -81.93 -43.12 18.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.536 ' HA ' ' HE2' ' A' ' 41' ' ' MET . 12.5 mt -60.98 -42.75 98.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -43.81 -65.31 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 39' ' ' SER . 14.1 mttt -34.05 -40.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 38' ' ' LEU . 16.9 mtm -71.36 -45.19 63.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.505 ' N ' ' O ' ' A' ' 39' ' ' SER . 37.7 mt -64.23 -24.31 67.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.925 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -75.47 -55.68 4.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.472 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 45' ' ' SER . 0.7 OUTLIER -50.71 -39.92 52.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.906 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.431 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 3.7 m -75.61 -32.23 60.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.466 ' CE3' HD12 ' A' ' 49' ' ' LEU . 68.6 t-105 -67.62 -69.48 0.31 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -42.73 -36.44 1.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.95 -39.08 90.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.593 HD11 ' NE1' ' A' ' 18' ' ' TRP . 92.4 mt -55.72 152.45 9.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.1 p -102.57 165.2 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.479 HD13 ' C ' ' A' ' 51' ' ' LEU . 3.1 tm? -42.66 -60.0 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -47.4 -34.16 6.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.136 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 16.4 mt-10 -73.07 -36.38 66.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.678 ' O ' HG23 ' A' ' 58' ' ' VAL . 23.4 mttp -84.96 -10.08 57.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.7 tpt180 -54.64 -50.83 83.37 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.75 -32.26 18.97 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.475 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.9 m-85 -90.04 -10.61 44.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 54' ' ' LYS . 14.1 t -93.75 -36.92 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -76.54 -10.72 59.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -94.35 -60.6 1.69 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -45.58 -47.31 14.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.122 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -48.14 -59.57 3.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' O ' HG22 ' A' ' 66' ' ' VAL . 70.0 mtt180 -47.38 -47.04 26.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.5 -44.34 96.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 -60.45 -63.2 1.38 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 63' ' ' ARG . 23.0 m -44.98 -33.54 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 70' ' ' GLN . 50.7 mt-30 -65.84 -61.59 1.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -39.67 -26.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.589 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 39.5 mtt -80.64 -41.81 23.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' N ' ' O ' ' A' ' 67' ' ' GLN . 5.7 pt20 -44.1 -33.22 1.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -63.2 -39.31 94.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -137.8 120.16 11.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.521 0.677 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 3.83 2.53 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -55.83 -25.28 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.589 ' CD2' ' SD ' ' A' ' 69' ' ' MET . 10.0 p90 -66.98 -51.35 56.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG2' ' CE2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -176.45 147.5 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.3 t -174.62 106.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -177.06 -101.3 0.14 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.439 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 142.03 46.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.697 2.264 . . . . 0.0 112.328 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -70.09 -53.95 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 t 47.7 44.8 17.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.847 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.506 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -78.7 166.31 22.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.857 0.361 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -138.38 159.28 42.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.24 50.73 0.97 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.7 m -150.55 142.83 24.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.85 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -78.06 -44.15 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.59 -131.06 1.84 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.55 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.762 HG22 ' H ' ' A' ' 10' ' ' ARG . 20.4 mm -121.46 142.8 36.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.833 0.349 . . . . 0.0 111.143 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -96.94 12.45 32.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.762 ' H ' HG22 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -139.57 151.8 67.26 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.57 0.7 . . . . 0.0 110.933 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 177.35 5.64 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.709 2.273 . . . . 0.0 112.381 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.4 mtm -139.85 149.34 43.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.801 ' O ' HG23 ' A' ' 17' ' ' VAL . 2.1 p30 -93.36 -174.39 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -48.7 76.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -59.07 -52.37 66.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.428 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 30.1 mmm -55.56 -60.48 3.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 13' ' ' ASN . 59.6 t -42.12 -69.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.798 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.1 t90 -47.8 -33.2 6.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.464 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -71.21 -30.19 66.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.9 ptmm? -44.61 -31.8 1.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -93.96 -19.93 20.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.589 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 2.6 mm-40 -89.45 -60.93 1.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.608 ' N ' HD21 ' A' ' 42' ' ' LEU . 49.4 ttt-85 -45.31 -40.52 7.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 6.4 ptmt -57.11 -34.34 68.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.501 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.0 OUTLIER -81.24 -15.91 54.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.455 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 41.6 mt -80.84 -40.5 24.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.71 77.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -68.11 -38.68 82.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 25.6 mt-30 -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.479 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.7 m-80 -133.73 83.0 48.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 -6.07 17.68 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.688 2.259 . . . . 0.0 112.35 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -107.74 -15.96 14.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD12 ' CG ' ' A' ' 30' ' ' ASN . 31.6 mt -88.18 155.14 19.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.83 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 12.7 p80 -117.48 172.36 7.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' LEU . 47.5 m-20 -35.18 -70.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.83 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.39 -37.47 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 34' ' ' HIS . 9.1 mm-40 -80.34 -43.7 20.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.481 ' N ' ' O ' ' A' ' 35' ' ' ASN . 12.7 mt -59.38 -49.17 78.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.51 -55.35 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 39' ' ' SER . 24.0 mmtt -36.49 -32.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 38' ' ' LEU . 6.9 mtm -91.52 -36.42 13.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.608 HD21 ' N ' ' A' ' 23' ' ' ARG . 83.8 mt -69.42 -20.96 63.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -84.57 -46.61 5.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -61.09 -38.18 85.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.0 m -76.09 -30.94 58.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.597 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.2 t-105 -67.08 -69.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -44.59 -37.45 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.43 -38.06 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.798 HD11 ' NE1' ' A' ' 18' ' ' TRP . 86.5 mt -53.83 163.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 53' ' ' GLU . 59.0 p -111.93 159.15 18.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.644 HD11 HH11 ' A' ' 55' ' ' ARG . 2.2 tm? -40.68 -55.46 2.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -52.76 -33.09 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 28.9 mm-40 -75.52 -32.67 60.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 71.4 mttt -84.72 -9.86 57.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.67 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.4 tpt180 -56.93 -50.96 85.15 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.631 0.729 . . . . 0.0 110.888 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.67 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 54.1 Cg_endo -69.75 -25.37 28.71 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.357 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.491 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 30.5 m-85 -98.33 -9.71 24.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.9 t -95.31 -32.8 4.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -82.35 -12.19 58.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -92.32 -50.12 5.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.516 ' HB2' HG21 ' A' ' 17' ' ' VAL . . . -58.81 -33.36 70.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.109 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.91 -36.36 79.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 67' ' ' GLN . 33.7 mtp180 -73.43 -38.37 65.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.2 mt -66.7 -41.9 87.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.3 ttt85 -59.43 -57.55 12.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.63 -30.17 36.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 29.4 mt-30 -65.94 -18.53 65.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -91.82 -36.32 13.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.0 mtm -72.71 -38.39 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -61.11 -39.49 90.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -56.95 -37.54 71.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -139.88 122.13 9.98 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.576 0.703 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 74' ' ' ASN . 53.5 Cg_endo -69.75 -4.97 15.08 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 73' ' ' PRO . 4.2 m-80 -34.34 -45.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 76' ' ' LYS . 25.7 p90 -54.53 -175.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 75' ' ' TYR . 11.9 tppt? -34.41 -66.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.1 m 61.51 32.67 18.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -122.25 -149.02 7.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 114.07 3.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 2.28 . . . . 0.0 112.362 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.4 m -91.38 148.23 22.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.1 t -118.09 164.04 15.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 t -91.69 145.18 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -126.1 139.22 53.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.56 -125.08 1.55 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -157.87 152.46 24.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.5 t -146.32 160.73 41.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.14 139.75 3.6 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 mt -83.1 153.11 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 33.4 mmt-85 -98.24 -40.75 8.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.411 ' HD3' ' N ' ' A' ' 10' ' ' ARG . 1.0 OUTLIER -114.15 156.36 44.28 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.914 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 164.71 33.59 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.472 ' HB3' ' CB ' ' A' ' 16' ' ' MET . 1.8 mtm -135.19 157.54 46.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.479 ' ND2' ' H ' ' A' ' 16' ' ' MET . 0.7 OUTLIER -102.28 -179.08 3.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.11 -44.86 64.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' HB3' ' ND2' ' A' ' 13' ' ' ASN . 44.5 t80 -63.24 -51.54 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.479 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 66.6 mtp -54.71 -56.25 21.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 13' ' ' ASN . 57.7 t -52.06 -63.78 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.151 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.946 ' NE1' HD11 ' A' ' 49' ' ' LEU . 3.9 t90 -49.24 -32.84 11.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -71.49 -39.26 70.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' ALA . 2.5 ptmm? -35.98 -33.95 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 19' ' ' ALA . 18.2 t0 -89.5 -45.93 9.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.588 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 21.3 mm-40 -60.19 -58.74 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' N ' HD21 ' A' ' 42' ' ' LEU . 52.1 ttt-85 -38.79 -46.2 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -47.42 -46.99 26.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.54 -28.88 67.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CD1' ' HG ' ' A' ' 42' ' ' LEU . 36.1 mt -70.02 -45.29 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.66 68.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.3 pt20 -67.77 -37.52 82.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.437 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 29.0 mt-30 -68.75 -32.81 72.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 74.1 m-80 -133.2 83.42 50.85 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.637 0.732 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -4.59 14.34 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.328 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -108.5 -18.43 13.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.56 HD22 ' CD ' ' A' ' 37' ' ' GLU . 24.0 mt -85.95 158.45 19.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.976 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.0 p80 -122.01 172.94 7.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -32.75 -72.11 0.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.976 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -36.78 -40.33 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.56 ' CD ' HD22 ' A' ' 33' ' ' LEU . 10.7 mm-40 -76.04 -38.98 56.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 35' ' ' ASN . 14.7 mt -64.05 -47.49 79.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.39 -54.89 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 39' ' ' SER . 25.4 mmtt -36.98 -30.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.0 mtm -94.3 -34.46 12.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 39' ' ' SER . 96.2 mt -65.86 -27.84 68.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -78.01 -55.3 4.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -50.73 -36.13 34.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 m -78.66 -30.29 46.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.483 ' CE3' HD12 ' A' ' 49' ' ' LEU . 64.6 t-105 -68.81 -69.16 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -46.01 -29.36 1.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.21 78.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.946 HD11 ' NE1' ' A' ' 18' ' ' TRP . 83.8 mt -57.18 157.28 6.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 p -100.08 176.6 5.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.818 HD11 HH11 ' A' ' 55' ' ' ARG . 2.5 tm? -56.54 -56.87 15.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.64 -26.82 23.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -76.31 -34.87 59.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.683 ' O ' HG23 ' A' ' 58' ' ' VAL . 59.6 mttt -87.06 -8.38 57.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.818 HH11 HD11 ' A' ' 51' ' ' LEU . 4.8 tpt180 -57.05 -50.67 86.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.6 Cg_endo -69.74 -25.73 28.4 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.675 2.25 . . . . 0.0 112.309 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.437 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 35.8 m-85 -98.25 -9.4 25.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 54' ' ' LYS . 11.3 t -94.62 -35.46 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.16 -11.25 59.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -95.86 -60.94 1.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -45.31 -42.66 10.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -52.21 -61.11 2.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -45.9 -40.66 10.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.5 mt -68.72 -44.47 73.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.9 ttt85 -58.19 -53.1 62.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 15.9 m -57.22 -41.84 78.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -51.31 -43.85 61.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.937 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -58.41 -52.45 65.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.0 mtm -64.92 -12.6 51.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.88 -52.52 6.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -49.92 -20.96 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -151.16 121.62 3.7 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.566 0.698 . . . . 0.0 110.86 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.429 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 53.8 Cg_endo -69.74 3.55 2.7 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 0.0 112.364 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -37.15 -35.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.429 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 19.9 p90 -66.02 161.19 22.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 155.27 34.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.3 m -139.12 133.11 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -164.27 -83.4 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.469 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.22 29.97 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.699 2.266 . . . . 0.0 112.304 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 64.0 p -52.94 135.66 36.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.5 p -92.63 156.87 16.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.867 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.492 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.5 p -112.24 -37.06 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.879 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -135.16 123.5 23.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.85 83.66 1.01 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 t -92.38 127.77 37.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -103.38 -44.79 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.86 172.99 14.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 10' ' ' ARG . 54.5 mt -121.18 123.93 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 111.171 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -45.75 -40.96 10.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' H ' HG22 ' A' ' 8' ' ' ILE . 2.1 mpt_? -104.11 151.99 39.07 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.84 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 53.7 Cg_endo -69.84 -176.93 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.641 2.227 . . . . 0.0 112.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.421 ' HE3' ' HA ' ' A' ' 17' ' ' VAL . 3.6 mtm -129.62 149.11 51.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.715 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -96.73 -173.39 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -42.88 78.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -68.79 -49.65 56.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.412 ' CB ' ' HB3' ' A' ' 12' ' ' MET . 46.2 mmm -56.75 -52.8 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 13' ' ' ASN . 92.4 t -51.01 -61.99 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.544 ' CZ2' ' HG3' ' A' ' 22' ' ' GLU . 3.5 t90 -55.77 -26.84 47.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.543 ' HB1' HD13 ' A' ' 42' ' ' LEU . . . -73.9 -41.8 61.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.079 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' ALA . 7.3 ptmt -35.06 -34.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' ALA . 29.2 t70 -92.2 -61.35 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.544 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -42.56 -56.74 2.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HA ' HD21 ' A' ' 42' ' ' LEU . 31.5 ttm180 -42.25 -47.55 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -44.04 -43.87 7.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -66.85 -32.77 74.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.587 HD12 ' HB3' ' A' ' 38' ' ' LEU . 21.4 mt -66.9 -41.95 86.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.06 -51.07 71.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -65.93 -30.91 71.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -78.65 -30.27 46.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.547 ' CG ' HD12 ' A' ' 33' ' ' LEU . 70.7 m-80 -134.89 83.21 41.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.934 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -6.38 18.47 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.374 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.36 -17.76 14.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD12 ' CG ' ' A' ' 30' ' ' ASN . 35.7 mt -85.67 155.57 21.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.822 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.1 p80 -117.95 170.71 8.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 23' ' ' ARG . 3.0 t30 -34.2 -70.02 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.822 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.14 -39.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' CG ' HD22 ' A' ' 33' ' ' LEU . 29.4 mm-40 -79.05 -43.65 23.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.911 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' HB3' HD12 ' A' ' 26' ' ' LEU . 14.3 mt -57.85 -49.07 77.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.4 OUTLIER -44.13 -54.99 5.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.5 mmtp -36.63 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.96 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 39' ' ' SER . 6.7 mtm -94.34 -35.29 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.543 HD13 ' HB1' ' A' ' 19' ' ' ALA . 94.0 mt -65.05 -23.44 67.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.79 -51.33 4.57 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 45' ' ' SER . 20.4 pttp -54.99 -37.86 67.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.444 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 17.0 m -76.23 -30.72 58.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.531 ' CE2' ' HE3' ' A' ' 54' ' ' LYS . 65.7 t-105 -68.39 -69.58 0.32 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -46.14 -35.58 5.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.07 89.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.508 HD11 ' NE1' ' A' ' 18' ' ' TRP . 72.2 mt -52.3 154.29 2.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.942 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.5 p -93.07 177.44 6.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 HH11 ' A' ' 55' ' ' ARG . 2.0 tm? -58.89 -56.23 24.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.93 -27.09 50.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.078 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -71.59 -35.75 70.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 33.0 mtpt -85.83 -7.83 58.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.673 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 5.6 tpt180 -57.25 -50.66 86.89 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.644 0.735 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.4 Cg_endo -69.8 -24.91 28.98 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.693 2.262 . . . . 0.0 112.322 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.16 -9.77 23.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 10.6 t -93.97 -37.03 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -75.75 -11.04 59.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -92.1 -59.72 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.619 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.57 -35.25 19.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -65.42 -37.47 87.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -69.34 -29.66 67.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -79.14 -43.5 23.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.6 ttt85 -55.65 -56.0 25.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.467 HG12 ' HE2' ' A' ' 69' ' ' MET . 30.0 m -55.6 -42.07 67.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.423 ' N ' HG23 ' A' ' 66' ' ' VAL . 44.2 mt-30 -64.57 -20.08 66.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.4 ' ND1' ' HD3' ' A' ' 11' ' ' PRO . 17.0 t60 -84.02 -31.32 25.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.585 ' HB2' ' CD2' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -99.69 -12.76 19.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -55.63 -36.2 66.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.77 -33.77 74.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' MET . 5.4 p80 -141.19 120.8 8.36 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.596 0.712 . . . . 0.0 110.86 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.478 ' HA ' ' CE2' ' A' ' 75' ' ' TYR . 54.2 Cg_endo -69.74 6.6 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.713 2.275 . . . . 0.0 112.376 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -74.5 59.21 0.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.585 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 39.8 p90 -142.0 167.9 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' TYR . 26.6 tttm -34.13 141.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 59.6 p -174.32 158.57 2.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 139.39 162.67 9.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 80' ' ' SER . 53.7 Cg_endo -69.76 -14.61 36.34 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.699 2.266 . . . . 0.0 112.317 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' PRO . 5.3 m -37.1 115.71 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.8 t -105.47 150.24 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.477 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.4 p -113.26 177.23 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.0 p -98.61 -53.64 3.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 87.53 -39.54 3.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 34.9 p -37.4 126.57 1.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.856 0.36 . . . . 0.0 110.917 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -97.04 40.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.822 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.07 167.18 36.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -134.29 147.04 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.419 ' CG ' ' HD2' ' A' ' 10' ' ' ARG . 15.9 tpp180 -65.98 -55.2 17.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -124.91 156.1 69.43 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 -179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 174.78 9.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.63 2.22 . . . . 0.0 112.323 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.511 ' HA ' ' HE2' ' A' ' 16' ' ' MET . 10.3 mtm -131.62 149.7 52.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.884 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -95.78 -175.77 3.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.46 94.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -68.77 -51.02 45.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.638 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 6.9 mtm -61.54 -47.2 86.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 13' ' ' ASN . 69.3 t -52.89 -58.62 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.707 ' NE1' HD11 ' A' ' 49' ' ' LEU . 1.3 t90 -59.56 -26.69 65.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 21' ' ' ASP . . . -74.94 -41.16 60.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.1 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' ALA . 1.9 ptmm? -34.2 -33.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 19' ' ' ALA . 27.3 t70 -91.59 -41.74 10.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.584 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 8.6 mm-40 -66.62 -56.83 8.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 26' ' ' LEU . 14.8 ttp-105 -37.81 -55.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -39.57 -45.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.486 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 3.9 ptt85 -66.35 -33.92 76.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 23' ' ' ARG . 24.5 mt -66.84 -43.62 83.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.31 -53.04 62.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 5.4 pt20 -62.38 -33.33 74.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 8.8 mt-30 -75.09 -32.95 61.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.581 ' CG ' HD12 ' A' ' 33' ' ' LEU . 71.1 m-80 -131.67 82.68 60.19 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.09 17.77 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.53 -18.56 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.581 HD12 ' CG ' ' A' ' 30' ' ' ASN . 50.5 mt -85.68 156.98 20.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.742 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 9.2 p80 -119.21 172.44 7.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.9 t-20 -34.13 -70.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.742 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -34.98 -40.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' CD ' HD22 ' A' ' 33' ' ' LEU . 6.3 mm-40 -76.85 -41.71 42.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' ASN . 15.8 mt -61.82 -48.92 78.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.944 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.0 -55.32 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 -179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' SER . 37.6 mmtt -35.88 -30.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.491 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.7 mtt -93.97 -37.09 11.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 39' ' ' SER . 75.5 mt -66.45 -23.64 66.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -80.36 -54.4 3.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -55.71 -36.43 67.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 m -77.73 -29.45 51.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.798 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.518 ' CZ2' ' CE ' ' A' ' 54' ' ' LYS . 59.4 t-105 -68.37 -69.62 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm -46.46 -33.66 4.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.97 -38.31 82.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.707 HD11 ' NE1' ' A' ' 18' ' ' TRP . 89.6 mt -56.2 155.41 6.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 53' ' ' GLU . 4.5 p -102.57 160.5 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.737 HD11 HH11 ' A' ' 55' ' ' ARG . 2.7 tm? -40.86 -58.64 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.18 11.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' THR . 20.6 mt-10 -78.45 -32.65 48.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.681 ' O ' HG23 ' A' ' 58' ' ' VAL . 34.1 mtpt -87.0 -9.18 56.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.737 HH11 HD11 ' A' ' 51' ' ' LEU . 4.6 tpt180 -55.51 -50.27 87.81 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.727 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.8 Cg_endo -69.73 -31.24 21.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.512 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 38.5 m-85 -91.47 -11.8 36.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.7 t -92.08 -38.33 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.176 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -73.88 -16.34 61.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -84.92 -59.03 2.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.578 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -49.46 -36.43 22.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.791 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.9 tt0 -61.69 -46.27 90.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.928 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' C ' HG22 ' A' ' 66' ' ' VAL . 80.7 mtt180 -63.4 -23.44 67.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.8 mt -85.23 -56.42 3.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.481 ' HD3' ' N ' ' A' ' 66' ' ' VAL . 0.0 OUTLIER -53.5 -41.82 66.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.791 HG13 ' O ' ' A' ' 62' ' ' GLU . 34.4 m -58.58 -46.49 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.527 ' N ' HG23 ' A' ' 66' ' ' VAL . 1.8 mp0 -64.75 -20.14 66.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 t60 -78.75 -30.9 45.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.581 ' HB2' ' CD1' ' A' ' 75' ' ' TYR . 0.0 OUTLIER -101.57 -18.9 15.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -55.64 -32.33 63.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -61.72 -15.78 43.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 69' ' ' MET . 5.5 p80 -151.86 119.02 3.21 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.615 0.722 . . . . 0.0 110.83 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 78.33 1.0 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.702 ' ND2' ' H ' ' A' ' 75' ' ' TYR . 0.1 OUTLIER -128.42 -51.43 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.702 ' H ' ' ND2' ' A' ' 74' ' ' ASN . 11.7 p90 -31.01 -57.7 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -132.39 -69.0 0.6 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.4 t 63.81 39.29 8.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -111.35 -159.0 15.41 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 152.48 69.38 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.644 2.229 . . . . 0.0 112.333 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 m -106.65 -58.23 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 86.6 p -77.25 166.91 22.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.515 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.6 p -169.96 156.29 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.916 0.388 . . . . 0.0 110.865 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 t -110.2 161.81 15.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.0 85.32 0.14 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.45 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -133.96 107.03 7.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.844 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 m -97.21 -56.38 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.893 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.48 -152.11 9.74 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.9 mt -119.24 145.74 24.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.817 0.342 . . . . 0.0 111.104 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -100.37 -52.37 3.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -113.86 153.36 46.07 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.578 0.704 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' A' ' 68' ' ' HIS . 54.2 Cg_endo -69.73 157.37 60.67 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.404 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.7 mtm -128.07 147.85 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.662 ' O ' HG23 ' A' ' 17' ' ' VAL . 0.8 OUTLIER -91.01 -176.92 4.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.14 85.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 2.1 t80 -68.9 -46.22 68.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.589 ' H ' ' ND2' ' A' ' 13' ' ' ASN . 23.8 mtp -58.38 -51.49 69.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 13' ' ' ASN . 85.9 t -51.88 -69.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.089 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.624 ' NE1' HD11 ' A' ' 49' ' ' LEU . 2.0 t90 -48.24 -35.61 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -70.74 -35.46 72.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.085 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 21' ' ' ASP . 1.1 ptmm? -41.55 -36.07 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.463 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 12.8 t70 -89.84 -23.19 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.598 ' HG3' ' CZ2' ' A' ' 18' ' ' TRP . 10.0 mm-40 -83.37 -60.91 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.65 ' HB2' HD11 ' A' ' 42' ' ' LEU . 25.9 ttp180 -44.94 -46.0 10.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -47.72 -36.48 11.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.481 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 7.3 ptt85 -77.9 -22.24 50.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 38' ' ' LEU . 40.1 mt -75.45 -37.67 60.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.1 -49.67 76.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 7.5 pt20 -66.49 -40.04 89.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 9.5 mt-30 -66.39 -38.5 87.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.542 ' CG ' HD12 ' A' ' 33' ' ' LEU . 72.1 m-80 -126.97 82.89 67.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.629 0.728 . . . . 0.0 110.869 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -4.81 14.79 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -108.89 -17.2 13.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.542 HD12 ' CG ' ' A' ' 30' ' ' ASN . 35.8 mt -86.03 157.01 20.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.936 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 15.9 p80 -119.07 170.6 8.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 34.7 m120 -34.23 -68.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.936 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -36.19 -39.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.449 ' CG ' HD22 ' A' ' 33' ' ' LEU . 7.1 mm-40 -77.64 -43.6 30.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HB3' HD12 ' A' ' 26' ' ' LEU . 14.1 mt -59.15 -48.86 80.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -45.13 -53.04 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 25.8 mmtt -38.34 -29.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 39' ' ' SER . 8.0 mtm -94.95 -32.63 13.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' ' 23' ' ' ARG . 66.7 mt -72.38 -21.87 61.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -83.2 -49.79 4.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.467 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -58.18 -36.2 72.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.738 0.304 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.6 m -79.92 -27.39 39.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.468 ' CE3' HD12 ' A' ' 49' ' ' LEU . 63.2 t-105 -71.61 -69.0 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -44.94 -34.34 2.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.22 81.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.624 HD11 ' NE1' ' A' ' 18' ' ' TRP . 61.4 mt -54.63 152.96 6.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' GLU . 17.0 p -104.93 164.55 11.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -41.03 -57.2 2.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.43 -31.41 45.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' THR . 18.5 mt-10 -76.8 -36.58 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.677 ' O ' HG23 ' A' ' 58' ' ' VAL . 26.8 mttt -85.28 -10.25 56.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.675 ' N ' ' HD2' ' A' ' 56' ' ' PRO . 1.0 OUTLIER -54.48 -50.6 84.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.608 0.718 . . . . 0.0 110.85 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.74 -32.67 18.18 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.355 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.518 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 36.1 m-85 -89.89 -10.32 45.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 54' ' ' LYS . 13.7 t -93.77 -37.31 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -75.92 -13.71 60.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -87.8 -60.09 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.883 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 64' ' ' LEU . . . -46.05 -55.68 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.088 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.851 ' O ' HG22 ' A' ' 66' ' ' VAL . 6.8 tt0 -39.3 -57.17 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.9 mtp85 -52.33 -32.62 38.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 61' ' ' ALA . 13.8 mt -79.85 -60.97 2.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.59 ' HD2' HG13 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -47.35 -39.21 14.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.851 HG22 ' O ' ' A' ' 62' ' ' GLU . 26.9 m -74.62 -40.0 47.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.403 ' N ' HG23 ' A' ' 66' ' ' VAL . 27.6 mt-30 -62.64 -12.71 24.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.928 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.464 ' CG ' ' HG3' ' A' ' 11' ' ' PRO . 82.8 t60 -92.39 -19.99 21.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.568 ' HB3' ' CD1' ' A' ' 75' ' ' TYR . 9.6 mtt -77.05 -42.63 37.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -41.53 -42.17 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -55.82 -42.12 75.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -137.12 121.62 12.39 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.575 0.702 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' HA ' ' CE1' ' A' ' 75' ' ' TYR . 53.7 Cg_endo -69.8 -2.79 10.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.659 2.239 . . . . 0.0 112.365 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -46.49 -29.61 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 69' ' ' MET . 31.7 p90 -55.24 -48.51 73.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.49 ' N ' ' CG ' ' A' ' 75' ' ' TYR . 12.6 tmtt? -172.4 129.7 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -166.17 141.03 4.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 178.13 -73.62 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.07 25.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.685 2.256 . . . . 0.0 112.35 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 m -126.24 89.27 2.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.6 t -152.25 160.89 43.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.8 m -145.44 125.78 13.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.89 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.2 m -60.97 165.05 4.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.81 73.97 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.479 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -135.02 129.41 34.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.863 0.363 . . . . 0.0 110.823 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.5 p -150.65 120.74 7.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.841 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.49 146.82 3.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 mt -111.73 136.28 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 111.104 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -37.76 -53.03 1.28 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -129.94 153.86 81.05 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.732 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.456 ' HG3' ' CB ' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.77 -174.1 0.84 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.418 ' O ' ' HB1' ' A' ' 61' ' ' ALA . 3.7 mtm -146.81 150.55 35.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.74 ' O ' HG23 ' A' ' 17' ' ' VAL . 1.8 p30 -95.11 -174.35 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -46.85 79.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -61.86 -51.84 66.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.0 mmm -55.58 -58.54 7.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 13' ' ' ASN . 78.2 t -43.74 -69.85 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.803 ' NE1' HD11 ' A' ' 49' ' ' LEU . 1.7 t90 -48.77 -37.53 19.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' N ' ' A' ' 22' ' ' GLU . . . -65.34 -36.25 83.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -41.59 -31.86 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 9.9 t70 -89.89 -28.01 19.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.563 ' HG2' ' CZ2' ' A' ' 18' ' ' TRP . 2.3 mp0 -83.4 -59.63 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.695 ' N ' HD21 ' A' ' 42' ' ' LEU . 24.1 ttp85 -46.71 -44.86 19.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 25' ' ' ARG . 2.7 ptmt -52.8 -31.82 40.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.495 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -85.0 -13.47 50.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD12 ' HB3' ' A' ' 38' ' ' LEU . 47.5 mt -82.72 -38.89 22.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.58 -49.64 72.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.138 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 29' ' ' GLN . 6.7 pt20 -67.65 -39.1 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.948 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.419 ' N ' ' HG3' ' A' ' 28' ' ' GLN . 15.9 mt-30 -66.8 -31.54 72.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.517 ' CG ' HD12 ' A' ' 33' ' ' LEU . 73.0 m-80 -134.77 82.75 43.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.606 0.717 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -5.75 16.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -108.08 -15.39 14.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 30' ' ' ASN . 41.5 mt -89.37 155.98 19.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.848 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 10.7 p80 -118.16 171.33 8.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 34' ' ' HIS . 65.3 m-80 -34.72 -68.23 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.848 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . . . -35.87 -39.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' CD ' HD22 ' A' ' 33' ' ' LEU . 11.5 mm-40 -78.63 -44.25 24.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.456 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 13.8 mt -58.32 -49.43 77.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -44.35 -54.61 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 39' ' ' SER . 10.6 mmtp -35.89 -31.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' SER . 7.1 mtm -92.92 -37.11 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.695 HD21 ' N ' ' A' ' 23' ' ' ARG . 75.7 mt -66.0 -25.33 67.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -79.98 -53.43 4.23 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.457 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -54.08 -33.4 57.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.806 0.336 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.4 m -81.28 -31.59 33.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.476 ' CE3' HD12 ' A' ' 49' ' ' LEU . 67.2 t-105 -67.78 -67.53 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.941 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -45.5 -34.72 3.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.12 -35.58 80.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.803 HD11 ' NE1' ' A' ' 18' ' ' TRP . 81.0 mt -58.04 151.29 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.5 p -98.23 167.38 10.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.898 HD11 HH11 ' A' ' 55' ' ' ARG . 2.4 tm? -49.04 -54.92 13.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.95 -32.16 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.502 ' O ' ' CD2' ' A' ' 57' ' ' PHE . 43.6 mm-40 -75.84 -31.89 59.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 58' ' ' VAL . 31.6 mttp -84.47 -10.94 57.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.898 HH11 HD11 ' A' ' 51' ' ' LEU . 3.6 tpt180 -57.14 -50.54 87.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.582 0.706 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 55' ' ' ARG . 53.9 Cg_endo -69.76 -26.24 27.78 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.655 2.237 . . . . 0.0 112.345 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.535 ' CG ' ' HB2' ' A' ' 18' ' ' TRP . 29.6 m-85 -97.09 -11.11 24.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 54' ' ' LYS . 15.0 t -94.12 -31.75 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -80.07 -13.89 58.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -90.84 -58.54 2.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.589 ' HB1' ' HA ' ' A' ' 13' ' ' ASN . . . -51.53 -32.76 29.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.076 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -63.97 -35.17 79.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' O ' ' CG2' ' A' ' 66' ' ' VAL . 49.4 mtp180 -70.85 -39.09 73.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.5 mt -64.77 -48.43 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -56.04 -63.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG23 ' CD ' ' A' ' 67' ' ' GLN . 16.6 m -38.55 -38.94 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.154 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.509 ' CD ' HG23 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -69.58 -59.7 2.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' CB ' ' HG3' ' A' ' 11' ' ' PRO . 52.5 t60 -38.6 -28.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 67' ' ' GLN . 11.2 mtt -78.73 -42.85 27.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 67' ' ' GLN . 5.3 pt20 -41.82 -39.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -55.32 -40.71 71.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -134.44 120.42 14.71 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.619 0.723 . . . . 0.0 110.878 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 1.02 4.77 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.667 2.245 . . . . 0.0 112.349 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -47.17 -27.46 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 76' ' ' LYS . 13.2 p90 -69.59 178.44 2.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.949 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' O ' ' CD2' ' A' ' 75' ' ' TYR . 9.5 ttmm -73.34 130.72 40.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.9 t -99.89 -58.37 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 63.73 82.81 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.436 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.7 2.88 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.757 2.305 . . . . 0.0 112.312 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.1 t -82.51 145.39 29.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -126.13 160.74 29.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 stop_ save_