data_2yuk_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 2yuk _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 ' 16' ' ' TRP . . . . . 0.524 ' CG ' HG23 ' A' ' 31' ' ' VAL . 26.4 m0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.705 0.288 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.65 -37.04 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.95 -56.85 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -55.84 -24.63 37.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 7.9 mm-40 -60.42 -31.63 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.25 -30.51 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 8.5 mt -75.0 -13.77 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.27 -115.91 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.9 -16.05 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 33.5 mmm -90.69 2.1 56.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.32 124.44 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 29.7 p -81.9 17.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -122.05 156.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.82 -57.76 4.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.3 Cg_endo -69.79 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 ' CG ' ' A' ' 16' ' ' TRP . 9.2 t -56.69 -17.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.1 tp -92.25 -53.31 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -44.25 -54.11 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 p -59.84 -45.58 91.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 74.6 m-20 -49.61 -33.95 16.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.4 mt -92.58 -65.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -50.94 -48.08 60.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 70.2 m-85 -112.76 84.52 6.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.13 8.21 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.37 9.62 22.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' LYS . 8.2 tp -37.79 -62.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LEU . 19.1 ptmt -36.92 -46.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.09 -58.1 9.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 14.5 mm-40 -52.38 -40.14 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 10.6 m-85 -134.75 93.73 17.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.743 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -43.85 2.45 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.12 113.71 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 40.1 t-105 -45.57 -59.78 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.5 -26.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -97.11 -36.47 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.494 ' CZ ' ' OE1' ' A' ' 20' ' ' GLU . 37.8 ttp180 -68.19 -51.99 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 10.9 p -45.1 -43.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' N ' HG11 ' A' ' 52' ' ' VAL . 33.8 mttm -59.28 -37.88 78.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.685 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 29.9 mm100 -65.38 -31.59 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -66.96 -35.94 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -57.76 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.1 ptmt -50.64 -48.93 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 22.9 mt -63.28 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 75.7 t-105 -63.99 -48.85 74.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 50.1 mtp180 -61.76 -37.19 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -55.67 -43.33 76.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -64.13 151.67 42.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -89.88 155.05 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.33 -47.91 25.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.8 -25.27 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -82.67 -38.13 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.555 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 38.7 mtt180 -79.25 -16.08 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.504 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -35.6 -58.79 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -59.31 -16.34 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 75.6 t -84.24 -39.21 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -80.81 -47.18 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -48.01 -48.19 32.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.54 -43.41 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.052 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -68.67 -45.8 70.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -64.54 -30.78 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -61.42 -30.42 70.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 85.3 mtm180 -67.99 -32.3 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -49.45 38.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CG ' HG21 ' A' ' 31' ' ' VAL . 25.4 m0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.728 0.299 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.89 -27.61 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.76 -53.91 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -61.54 -22.45 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.48 -32.94 72.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.81 63.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.412 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 15.0 mt -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.21 -115.99 5.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.39 -14.49 19.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.412 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 31.9 mmm -93.32 1.5 56.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.1 125.14 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 49.5 p -80.79 6.55 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.421 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -108.44 159.24 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -72.83 -59.67 2.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 0.0 111.067 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.306 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' A' ' 16' ' ' TRP . 4.2 t -55.65 -19.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 tp -90.65 -49.25 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -47.93 -56.62 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -58.05 -49.96 75.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.447 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 78.2 m-20 -42.66 -34.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.4 mt -92.58 -63.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -52.54 -53.62 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 49.3 m-85 -107.77 85.12 2.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -40.09 5.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 41' ' ' LEU . 71.4 m-20 -85.09 8.17 18.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' ASN . 6.6 tp -37.25 -53.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -43.33 -51.8 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.81 -59.77 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.8 mt-10 -48.87 -41.29 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.669 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 1.9 m-85 -134.91 93.56 17.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 120.28 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.446 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 37.8 t-105 -52.68 -59.33 4.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.4 -23.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 m -99.58 -32.21 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -73.37 -51.03 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.446 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.4 p -47.56 -44.1 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -55.15 -40.17 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.669 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 17.0 mm100 -62.87 -59.01 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.9 mt -38.85 -35.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.33 -56.34 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 26.3 pttt -58.48 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.562 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 20.9 mt -58.38 -33.62 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 73.8 t-105 -72.69 -53.34 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.425 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 62.1 mtt85 -58.92 -37.08 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -54.67 -39.82 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.45 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -68.78 146.99 52.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.1 m -84.64 156.23 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.57 -49.24 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.24 -23.63 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.91 -35.94 23.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.49 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 46.8 mtt180 -80.87 -12.55 59.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.52 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -40.62 -57.53 3.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.2 Cg_endo -69.79 -48.76 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -61.96 -18.49 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 69.2 t -84.99 -39.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -80.0 -48.78 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -49.3 -48.95 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.45 -35.88 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -73.33 -42.62 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -67.81 -34.63 77.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -55.62 -35.19 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.448 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 89.2 mtt180 -63.19 -34.84 78.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.72 -50.61 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.136 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.503 ' CG ' HG22 ' A' ' 31' ' ' VAL . 18.2 m0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -50.27 -35.99 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -74.1 -55.19 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -56.02 -33.87 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' OE1' ' NE ' ' A' ' 51' ' ' ARG . 6.1 mm-40 -51.61 -28.46 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.84 55.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 9.3 mt -69.6 -15.82 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.23 -118.47 11.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.28 -17.55 29.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.415 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.3 mmm -86.45 -10.29 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -36.1 123.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.7 p -82.49 17.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -121.88 158.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.574 ' HB1' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.61 -58.71 3.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.8 Cg_endo -69.78 -50.98 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.503 HG22 ' CG ' ' A' ' 16' ' ' TRP . 6.9 t -57.01 -16.01 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -94.26 -49.97 5.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 27.4 t80 -46.85 -54.51 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 p -58.3 -55.16 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.426 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 68.7 m-20 -40.53 -35.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.46 -64.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 11.3 m-80 -49.81 -54.6 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -106.04 89.07 3.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -36.89 9.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.05 14.89 16.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.403 HD23 ' CG ' ' A' ' 51' ' ' ARG . 6.3 tp -42.15 -48.49 4.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.42 -44.27 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.63 -58.76 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 4.3 mp0 -50.3 -41.24 50.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.69 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 4.8 m-85 -134.96 93.81 16.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.677 0.751 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -41.57 4.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.55 115.01 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.464 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 49.5 t-105 -46.83 -58.26 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -40.76 -30.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -94.16 -34.45 12.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' NE ' ' OE1' ' A' ' 20' ' ' GLU . 35.4 ttp180 -68.14 -53.19 26.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.0 p -46.79 -43.15 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' N ' HG11 ' A' ' 52' ' ' VAL . 36.0 mttm -55.63 -35.93 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.69 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 20.8 mm100 -67.56 -61.8 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLN . 61.5 mt -37.5 -34.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -62.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.548 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 5.3 ptpt -53.23 -50.7 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.548 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 27.8 mt -54.76 -47.0 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ2' ' HB1' ' A' ' 29' ' ' ALA . 73.4 t-105 -63.01 -42.63 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 59.3 mtt-85 -62.86 -39.66 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -56.59 -43.33 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.11 53.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -88.05 153.93 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -43.35 -54.18 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -50.06 -30.12 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -78.73 -37.11 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.496 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 42.2 mtt180 -79.69 -13.66 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -37.65 -58.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -59.17 -17.59 28.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 74.9 t -85.22 -37.19 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -79.84 -49.59 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -48.39 -47.9 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.421 ' HB3' ' C ' ' A' ' 28' ' ' VAL . . . -51.28 -38.87 55.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -70.63 -46.72 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.89 -35.2 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.17 -35.56 71.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -62.63 -36.32 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.41 -51.11 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.512 ' CG ' HG21 ' A' ' 31' ' ' VAL . 16.4 m0 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.728 0.299 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.85 -26.16 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -86.99 -48.96 7.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 2.9 mm-40 -64.47 -23.81 67.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 11.3 mm-40 -63.07 -22.93 67.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.42 -30.65 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 17.3 mt -71.37 -15.88 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.407 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 54.12 -114.47 4.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.0 -11.15 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.461 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.6 mmm -95.32 -11.71 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -35.43 125.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.432 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 60.5 p -81.82 17.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -123.92 157.9 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.91 -58.46 3.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.578 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.6 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG21 ' CG ' ' A' ' 16' ' ' TRP . 6.5 t -56.68 -16.03 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD2' ' HE2' ' A' ' 73' ' ' LYS . 15.0 tp -92.53 -48.93 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -49.88 -57.17 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' PHE . 14.0 p -56.13 -48.93 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 60.2 m-20 -44.18 -34.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.64 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.78 -54.0 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 46.1 m-85 -106.58 86.85 2.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.69 14.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 50.7 m-80 -90.45 9.56 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' ASN . 13.6 tp -37.02 -46.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -52.57 -58.61 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -55.91 -60.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -43.25 -42.71 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 21.3 m-85 -134.95 94.25 16.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -66.25 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' ARG . 59.3 t-105 -47.43 -62.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.66 -27.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' TRP . 93.7 m -95.68 -32.64 12.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 51.4 ttp180 -71.37 -51.04 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -46.11 -46.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -55.32 -50.64 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 21.1 mm100 -52.87 -34.62 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.4 -40.84 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.5 -59.24 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 15.6 ptmt -46.57 -47.89 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 27.8 mt -65.66 -36.64 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 72.3 t-105 -61.94 -52.39 64.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.9 mtm-85 -58.9 -48.76 80.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -44.86 -45.15 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 127.49 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 t -60.57 151.59 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -48.31 -49.73 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -55.18 -22.71 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.72 -37.36 35.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.558 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 8.1 mtp180 -78.91 -19.14 52.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.46 -58.44 0.52 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 54.0 Cg_endo -69.73 -51.14 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.8 -15.87 23.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.1 t -83.73 -40.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -79.64 -42.62 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HE2' ' CD2' ' A' ' 32' ' ' LEU . 3.3 ttpt -51.95 -46.05 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -39.25 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -70.77 -44.86 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.09 -36.86 85.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -55.91 -35.79 66.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.432 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 74.2 mtt180 -63.49 -40.4 96.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.81 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.519 ' CG ' HG22 ' A' ' 31' ' ' VAL . 28.4 m0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.802 0.334 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -51.06 -37.95 48.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.38 -49.15 65.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.422 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 1.6 mm-40 -66.54 -24.62 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.12 -26.41 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 19' ' ' GLU . 6.6 mt -79.7 -16.24 56.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.39 -112.99 2.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.82 -19.12 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 mtp -93.97 12.25 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.5 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 p -84.54 25.96 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.437 ' CB ' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -132.37 156.16 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.575 ' HB1' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.71 -57.76 5.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.54 0.686 . . . . 0.0 111.08 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.5 Cg_endo -69.77 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG22 ' CG ' ' A' ' 16' ' ' TRP . 6.0 t -56.9 -15.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.4 tp -94.15 -50.76 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -47.32 -53.6 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' PHE . 18.1 p -61.53 -53.17 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 41.5 m-20 -41.51 -39.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -89.25 -64.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -49.67 -54.51 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 87.1 m-85 -106.47 87.54 2.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.38 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -80.68 8.88 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.12 -59.08 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -40.37 -43.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.54 -62.16 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.512 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 23.2 mt-10 -44.94 -44.01 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 m-85 -134.84 93.77 17.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.15 108.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' THR . 53.3 t-105 -43.65 -61.93 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -41.27 -25.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' TRP . 38.1 m -96.13 -38.84 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 5.3 ttp-105 -66.9 -51.87 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 p -39.72 -50.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -50.73 -49.02 58.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.689 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 mm100 -51.44 -57.51 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.3 mt -44.53 -34.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.79 -54.32 28.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 18.5 pttt -62.76 -49.15 76.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 50.9 mt -57.86 -34.51 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 73.0 t-105 -71.86 -51.0 24.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.26 -43.23 96.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -49.26 -43.72 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 148.79 43.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -81.73 150.31 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.83 -44.53 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.2 -23.97 64.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -82.22 -34.85 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.526 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 9.5 mtp180 -79.45 -18.86 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.521 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -34.7 -57.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.79 -51.27 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.57 -16.67 26.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 92.9 t -84.32 -39.85 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -79.3 -46.51 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -47.63 -50.35 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.65 52.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -67.18 -44.04 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.1 -37.68 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.05 -35.11 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -64.6 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.408 ' CZ3' HG21 ' A' ' 55' ' ' ILE . 15.0 m0 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.713 0.292 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.23 -30.25 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -77.33 -50.42 12.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 4.2 mm-40 -63.03 -28.72 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 7.6 mm-40 -57.0 -29.73 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.42 -32.74 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 17.4 mt -71.16 -15.63 62.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 55.43 -117.44 8.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.18 -14.83 19.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.7 mmm -90.76 -6.39 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.29 124.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -82.63 14.32 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -119.04 158.18 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.62 -58.92 3.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.6 Cg_endo -69.76 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 20' ' ' GLU . 5.2 t -55.71 -21.2 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -87.99 -49.2 7.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -48.24 -58.89 3.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 p -54.75 -50.9 67.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.466 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 70.9 m-20 -43.03 -35.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.3 mt -89.61 -64.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.92 -54.12 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 42.4 m-85 -110.58 86.64 5.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -41.22 4.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.638 2.226 . . . . 0.0 112.378 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -86.76 13.48 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 5.5 tp -39.98 -58.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -37.91 -40.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.19 -64.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.84 -43.38 4.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 m-85 -134.58 93.76 18.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -42.25 3.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.92 110.14 6.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' THR . 54.0 t-105 -43.35 -63.76 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.79 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.1 m -97.25 -35.82 10.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.439 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 4.6 ttp-105 -70.46 -50.75 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -44.66 -39.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -62.83 -33.29 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 29.8 mm100 -69.24 -34.18 74.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.408 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 93.3 mt -64.81 -38.0 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.01 5.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.7 ptmt -52.85 -48.55 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.562 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 39.9 mt -64.25 -34.87 79.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 67.9 t-105 -64.29 -53.88 42.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.0 mtp-105 -62.03 -41.88 98.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -47.5 -38.55 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.7 137.71 49.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 t -66.93 155.1 39.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -51.54 -47.92 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.87 -11.7 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -88.41 -36.87 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 10.5 mtp180 -79.24 -18.31 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -34.01 -58.29 0.6 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -59.83 -15.85 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.6 t -84.27 -42.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.02 -43.9 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -50.31 -49.94 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.06 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -71.16 -41.66 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -68.19 -35.91 78.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -54.36 -35.31 62.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -64.64 -33.54 76.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.11 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.44 ' CG ' HG21 ' A' ' 31' ' ' VAL . 14.1 m0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.763 0.316 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.13 -38.0 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -70.68 -42.72 70.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -70.4 -19.54 63.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 12.0 mm-40 -65.89 -20.98 66.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.09 -31.75 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.88 -20.8 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 61.53 -121.64 26.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.12 -11.15 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 26' ' ' ALA . 4.2 mtp -91.38 -16.7 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -33.62 121.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -78.08 8.79 4.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' CB ' HG23 ' A' ' 31' ' ' VAL . 1.5 t -110.4 157.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -72.56 -59.18 2.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.565 0.698 . . . . 0.0 111.035 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.8 Cg_endo -69.68 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 28' ' ' VAL . 2.8 t -58.41 -13.69 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 17.7 tp -94.21 -49.41 5.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -51.35 -54.42 26.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 p -57.88 -43.64 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.426 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 31.5 m-20 -52.1 -30.31 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.43 -53.45 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.24 -55.47 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 55.2 m-85 -105.5 90.73 4.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -44.66 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . 9.9 m120 -82.95 8.4 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' ASN . 6.3 tp -37.83 -52.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.48 -62.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 11.4 mt-10 -38.37 -41.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 4.3 m-85 -134.97 93.62 17.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -44.12 2.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.17 108.12 3.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ARG . 50.4 t-105 -44.86 -62.86 1.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -40.44 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' TRP . 97.5 m -93.88 -35.56 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' TRP . 2.4 ttp-105 -70.6 -49.84 43.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.83 -25.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -76.15 -44.58 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 29.8 mm100 -58.79 -32.15 69.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.1 -34.41 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.85 -50.08 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.486 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -60.1 -49.22 78.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 16.3 mt -63.27 -35.1 79.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 69.0 t-105 -63.55 -55.51 23.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -59.6 -39.75 85.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -49.55 -39.52 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 138.05 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -67.19 151.48 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.41 -49.11 25.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.38 -22.98 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -77.14 -35.16 56.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.525 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 7.0 mtp180 -80.17 -16.4 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.522 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -37.22 -57.36 1.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -48.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -62.6 -16.62 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.5 t -86.35 -37.71 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -81.81 -43.48 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.14 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.414 ' HA ' ' NH1' ' A' ' 78' ' ' ARG . 15.2 mtp85 -60.93 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -57.86 -39.72 78.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -52.67 -35.53 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 75' ' ' ARG . 82.3 mtm-85 -60.67 -39.67 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.76 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.5 m0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.773 0.32 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.87 -40.32 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.82 -51.84 66.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE2' ' CD1' ' A' ' 22' ' ' LEU . 1.2 mm-40 -61.35 -37.84 84.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 14.1 mm-40 -46.88 -31.92 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -33.47 65.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.491 ' CD1' ' OE2' ' A' ' 19' ' ' GLU . 15.8 mt -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.39 -116.08 8.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.48 -9.5 26.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.2 mtp -94.82 -9.35 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.35 125.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.418 ' C ' ' HB3' ' A' ' 74' ' ' ALA . 51.3 p -82.52 6.6 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.449 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -108.82 155.72 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.97 -57.97 4.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.5 Cg_endo -69.76 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG1' ' HG2' ' A' ' 20' ' ' GLU . 4.2 t -56.99 -15.01 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -94.13 -52.54 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -46.35 -53.57 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.1 p -60.89 -44.92 96.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -48.31 -34.52 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -93.41 -64.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -50.26 -51.05 47.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -106.47 87.82 2.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.48 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.727 2.285 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -86.58 14.89 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -43.86 -56.34 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -43.66 -44.21 6.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.37 -58.51 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.09 -40.0 21.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 4.6 m-85 -133.87 93.36 20.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.306 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.04 110.97 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.8 t-105 -44.09 -60.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.73 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' TRP . 49.1 m -95.24 -38.65 10.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -65.92 -53.51 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 53' ' ' LYS . 11.7 p -46.28 -44.97 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' N ' HG11 ' A' ' 52' ' ' VAL . 38.9 mttm -55.61 -40.82 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.564 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 21.6 mm100 -62.79 -60.51 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.3 mt -39.11 -32.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -56.76 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.52 -48.46 81.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.7 mt -57.14 -35.48 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 74.5 t-105 -74.32 -46.07 43.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 24.4 mtp180 -59.78 -40.23 87.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.66 -42.86 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.88 138.14 58.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -80.15 156.97 26.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.45 -47.42 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -58.17 -24.89 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.26 -37.6 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 31.1 mtt180 -79.39 -16.06 56.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -35.7 -58.62 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.77 -51.23 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -59.54 -16.44 24.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 79.6 t -85.81 -39.08 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -79.23 -47.18 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -48.67 -51.37 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.418 ' HB3' ' C ' ' A' ' 27' ' ' THR . . . -49.06 -38.53 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -70.18 -45.03 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.3 -37.19 84.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -55.57 -37.53 68.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 40.5 mtp180 -59.46 -39.87 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CG ' HG22 ' A' ' 31' ' ' VAL . 21.3 m0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.673 0.273 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -45.59 -32.3 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.18 -45.81 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -67.2 -23.18 65.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 8.0 mm-40 -59.97 -19.33 51.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 -40.4 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.0 -26.29 65.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 66.29 -119.32 12.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.2 -15.12 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.3 mtp -89.87 -8.22 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.52 120.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.3 p -76.6 5.31 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CB ' HG21 ' A' ' 31' ' ' VAL . 1.5 t -106.79 158.16 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -73.07 -59.11 2.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.6 Cg_endo -69.76 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.52 HG22 ' CG ' ' A' ' 16' ' ' TRP . 3.2 t -55.96 -18.24 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.44 -50.24 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.97 -55.82 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 p -58.13 -42.24 85.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.414 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 29.7 m-20 -52.02 -33.59 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -90.4 -60.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -55.45 -50.86 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -105.34 90.99 4.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -40.49 5.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -96.01 19.57 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.37 -47.3 6.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -51.68 -51.86 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.91 -57.96 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 mp0 -48.77 -41.28 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 16.3 m-85 -135.0 93.65 17.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.91 107.66 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.434 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 51.1 t-105 -44.4 -63.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -42.01 -25.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' TRP . 74.1 m -94.16 -36.6 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -71.49 -51.76 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.1 p -41.25 -29.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.16 -45.27 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 28.9 mm100 -59.2 -31.22 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.51 -34.77 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 7.5 ptmm? -66.67 -49.28 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 38.2 mt -63.67 -25.89 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 73.0 t-105 -79.89 -45.48 18.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.12 -49.67 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -52.66 -28.49 21.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.01 131.56 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 p -62.5 149.07 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -49.41 -47.17 48.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -58.76 -21.32 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.82 -39.12 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.507 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 15.1 mtp180 -77.72 -22.74 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -32.31 -59.09 0.4 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -51.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -60.17 -14.59 18.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 88.8 t -86.18 -37.83 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -83.18 -43.98 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -54.02 -44.01 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.02 67.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -67.6 -45.2 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -62.79 -38.09 89.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -53.84 -34.92 60.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 mtm105 -61.7 -40.91 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -59.88 -52.14 66.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.516 ' CG ' HG23 ' A' ' 31' ' ' VAL . 32.4 m0 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.699 0.285 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.5 tp10 -37.03 -39.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -64.04 -51.93 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -63.15 -31.98 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.0 -27.35 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.83 -32.86 40.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 10.1 mt -73.86 -15.23 61.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.86 -116.23 5.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.29 -17.44 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.462 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 27.0 mmm -87.73 -9.83 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.99 122.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 59.4 p -83.46 24.27 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -124.45 157.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.93 -58.5 3.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 54.0 Cg_endo -69.73 -51.48 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.516 HG23 ' CG ' ' A' ' 16' ' ' TRP . 4.3 t -56.1 -19.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.3 tp -89.85 -55.05 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -43.72 -55.12 4.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 p -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.425 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 38.0 m-20 -49.64 -34.04 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -91.68 -65.22 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -50.96 -47.83 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.527 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 86.2 m-85 -106.85 88.25 3.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -46.34 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 1.4 p30 -85.75 10.55 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' ASN . 8.2 tp -38.25 -48.49 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HG2' ' NH1' ' A' ' 51' ' ' ARG . 23.6 mtpp -46.84 -54.79 9.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.59 -59.53 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 13.6 mm-40 -45.01 -41.94 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.683 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 8.6 m-85 -134.39 93.6 18.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.315 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.2 114.03 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.503 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 34.9 t-105 -44.76 -63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.69 -27.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' TRP . 90.5 m -91.25 -40.86 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' NH1' ' HG2' ' A' ' 42' ' ' LYS . 28.2 ttp180 -68.32 -53.66 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.503 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.7 p -44.1 -47.28 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' N ' HG11 ' A' ' 52' ' ' VAL . 82.6 mttt -51.62 -40.82 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.683 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 13.0 mm100 -62.13 -62.12 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 54' ' ' GLN . 97.2 mt -36.37 -38.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.27 -53.97 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.545 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.6 ptpt -62.06 -50.63 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 24.3 mt -58.22 -25.24 61.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.587 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 70.5 t-105 -84.32 -42.83 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.451 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 64.4 mtt-85 -59.05 -49.21 78.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -49.85 -34.76 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.05 136.14 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.2 m -82.15 153.78 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -44.93 -49.86 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -55.03 -28.72 54.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.08 -37.58 33.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.501 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 37.7 mtt180 -79.36 -17.16 55.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.503 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -34.99 -58.49 0.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.73 . . . . 0.0 111.078 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.2 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.69 -16.33 26.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 92.4 t -86.39 -36.83 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -81.15 -45.8 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -50.44 -49.16 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.45 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -67.05 -52.22 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -55.71 -38.21 69.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -54.13 -35.94 62.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 95.3 mtt180 -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -52.47 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.519 ' CG ' HG21 ' A' ' 31' ' ' VAL . 19.8 m0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.698 0.285 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -40.01 -41.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -68.48 -47.51 66.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -66.14 -22.91 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 8.4 mm-40 -61.09 -28.99 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.66 -33.15 53.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 12.9 mt -69.43 -17.2 63.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 55.31 -117.59 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.65 -16.31 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.409 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.8 mmm -88.83 -10.43 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.29 124.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 72.5 p -82.32 9.89 8.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.472 ' CB ' HG23 ' A' ' 31' ' ' VAL . 1.1 t -112.78 154.75 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' CZ2' ' A' ' 59' ' ' TRP . . . -69.99 -57.53 6.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.4 Cg_endo -69.79 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG21 ' CG ' ' A' ' 16' ' ' TRP . 3.7 t -58.86 -14.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 tp -94.2 -49.82 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -49.98 -54.09 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' PHE . 12.2 p -58.46 -45.25 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 44.2 m-20 -48.17 -42.44 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.59 -65.09 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 25.6 m-80 -50.29 -52.5 35.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 66.1 m-85 -107.18 84.34 1.66 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -38.69 7.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.42 13.8 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.67 -56.47 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -41.34 -42.26 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.72 -59.74 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 27.1 mt-10 -49.99 -41.18 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.681 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.4 m-85 -134.96 93.56 17.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -47.69 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.78 115.8 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' ARG . 61.2 t-105 -48.57 -60.44 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -42.32 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' TRP . 94.3 m -99.68 -28.63 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.501 ' CZ ' ' OE1' ' A' ' 20' ' ' GLU . 48.1 ttp180 -77.05 -50.24 13.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.6 p -44.39 -44.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -54.39 -38.17 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.681 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 19.4 mm100 -67.99 -59.42 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' GLN . 81.9 mt -36.3 -34.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -76.0 -50.83 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -58.94 -37.47 76.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 34.7 mt -76.31 -27.28 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 72.9 t-105 -78.85 -41.32 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -64.86 -51.51 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -51.99 -22.87 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 134.75 46.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 m -70.36 154.46 41.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.75 -10.99 31.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -90.01 -37.53 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 17.9 mtp180 -78.68 -19.81 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -32.79 -58.66 0.45 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 54.1 Cg_endo -69.8 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -60.53 -14.36 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 84.8 t -86.83 -38.82 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -82.9 -43.33 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -52.89 -47.37 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB1' ' C ' ' A' ' 28' ' ' VAL . . . -50.84 -44.48 59.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.19 -41.17 94.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.03 -36.36 83.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.41 -34.98 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 73.8 mtp180 -62.75 -35.48 79.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.47 66.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.49 ' CG ' HG21 ' A' ' 31' ' ' VAL . 25.9 m0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.725 0.298 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -48.33 -31.92 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -75.06 -50.48 16.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -62.2 -29.0 70.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.6 -27.41 39.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -38.43 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 11.1 mt -68.72 -14.92 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.02 -115.53 4.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.12 -16.99 36.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.443 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.2 mmm -89.19 -3.3 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.9 124.57 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -82.11 17.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -116.93 156.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB1' ' CZ2' ' A' ' 59' ' ' TRP . . . -72.1 -58.71 3.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 54.0 Cg_endo -69.78 -51.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 16' ' ' TRP . 3.5 t -56.59 -17.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.0 tp -90.91 -47.48 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.405 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 9.8 t80 -52.05 -56.8 12.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' PHE . 11.4 p -56.99 -47.35 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.466 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 74.6 m-20 -46.72 -35.26 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.4 mt -91.41 -64.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -54.02 -51.88 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 89.0 m-85 -109.12 84.4 2.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -43.67 2.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.17 13.53 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 tp -45.44 -49.6 13.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -47.92 -39.91 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.71 -60.89 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 18.3 mt-10 -45.43 -40.47 8.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 13.5 m-85 -134.63 93.81 17.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -67.61 110.64 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' THR . 48.3 t-105 -44.11 -62.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.52 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.8 m -97.44 -37.11 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' TRP . 2.8 ttp-105 -68.17 -51.27 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.8 p -43.97 -41.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -60.14 -38.13 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 27.5 mm100 -66.46 -30.7 71.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.3 mt -69.16 -36.81 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.62 -51.32 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.5 ptmm? -58.45 -49.56 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 31.8 mt -64.3 -29.25 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 63.9 t-105 -67.44 -56.86 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -54.29 -51.37 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -38.9 -42.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.25 120.33 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -56.88 155.33 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.42 -44.36 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -59.21 -25.23 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.78 -33.83 40.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 4.5 mtp-105 -78.97 -17.72 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -37.98 -58.63 1.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.8 -51.6 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 47.7 m-85 -59.42 -17.56 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 70.0 t -88.17 -35.76 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -81.44 -48.83 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -50.66 -50.98 53.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.81 -46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -64.46 -48.13 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.97 -37.47 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -56.49 -35.09 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -62.51 -41.16 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.65 93.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CG ' HG23 ' A' ' 31' ' ' VAL . 37.5 m0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.706 0.289 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.81 -28.58 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -82.21 -60.01 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.495 ' OE1' ' CG2' ' A' ' 27' ' ' THR . 3.5 mm-40 -52.64 -32.27 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.55 -37.74 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.75 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 19.2 mt -76.66 -12.31 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.88 -119.23 8.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.99 -16.48 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.413 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 32.9 mmm -93.99 12.92 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.09 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.495 ' CG2' ' OE1' ' A' ' 19' ' ' GLU . 73.2 p -78.69 10.91 2.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.413 ' C ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -118.77 157.35 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.0 -58.33 4.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.5 Cg_endo -69.67 -50.63 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG23 ' CG ' ' A' ' 16' ' ' TRP . 5.8 t -56.69 -16.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.35 -53.6 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -44.24 -51.53 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' PHE . 23.0 p -61.91 -50.49 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 76.1 m-20 -42.94 -36.49 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.5 mt -92.68 -62.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.66 -53.38 47.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.484 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 94.5 m-85 -106.95 86.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -83.24 11.17 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.435 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.53 -53.75 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -44.34 -39.46 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.55 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 1.9 mp0 -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 3.4 m-85 -134.93 94.13 16.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -44.38 2.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.87 112.55 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.462 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 34.8 t-105 -43.03 -62.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -41.01 -28.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.1 m -91.62 -42.17 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 13.6 ttp-105 -65.53 -53.98 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.462 ' HB ' ' CZ2' ' A' ' 48' ' ' TRP . 12.5 p -43.9 -48.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 52.5 mttm -53.86 -37.32 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.557 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 26.4 mm100 -66.44 -62.04 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' GLN . 80.3 mt -36.23 -33.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -68.71 -62.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.33 -38.15 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 39.4 mt -70.06 -29.42 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 55.5 t-105 -77.25 -35.86 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -62.69 -54.98 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -42.62 -47.16 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.11 113.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.416 ' HB3' ' CD ' ' A' ' 65' ' ' GLN . 43.4 m -53.28 150.91 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -50.52 -44.34 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CD ' ' HB3' ' A' ' 63' ' ' SER . 18.9 pm0 -65.12 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.78 -35.56 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.551 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 7.7 mtp180 -79.34 -17.48 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -34.06 -58.5 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.617 0.723 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.77 -51.45 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -59.31 -16.47 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 96.3 t -83.88 -42.85 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -78.52 -43.43 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -49.19 -49.7 41.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB3' ' C ' ' A' ' 28' ' ' VAL . . . -51.32 -44.68 62.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.63 -45.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.36 -31.8 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 78' ' ' ARG . 10.8 mtp-105 -64.25 -34.91 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.11 58.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 34.8 m0 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.74 0.305 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -51.33 -44.07 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -59.57 -46.19 89.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 4.0 mm-40 -70.48 -31.55 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mt-10 -57.32 -30.06 64.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.3 56.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 9.5 mt -79.05 -12.49 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 52.53 -117.47 6.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.98 -13.71 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.4 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.0 mmm -96.29 8.15 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . . . -52.02 125.71 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 47.0 p -83.31 17.59 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -126.4 154.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.48 -56.8 6.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.586 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.6 Cg_endo -69.75 -46.89 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.394 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 9.4 t -61.23 -22.5 27.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -86.74 -53.44 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -43.59 -52.02 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.4 p -62.28 -44.73 95.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 26' ' ' ALA . 69.2 m-20 -49.07 -39.92 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -88.47 -65.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -49.24 -53.07 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.495 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 78.7 m-85 -106.34 87.27 2.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -42.55 3.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.39 12.54 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tp -40.55 -55.83 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 15.2 ptpt -42.23 -42.64 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 4.9 mm-40 -61.55 -61.91 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 12.2 mm-40 -45.53 -42.29 10.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.664 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 11.4 m-85 -134.79 93.92 17.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.65 -46.43 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.62 110.0 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . 39.7 t-105 -44.46 -62.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.82 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' TRP . 98.7 m -98.23 -33.57 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' TRP . 27.1 ttp180 -71.53 -51.07 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 53' ' ' LYS . 13.6 p -40.23 -50.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 40.6 mttt -51.26 -37.41 47.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.664 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 mm100 -65.45 -35.39 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.461 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 77.7 mt -62.77 -36.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.88 -59.4 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 11.7 ptmt -49.57 -48.77 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.495 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 30.6 mt -62.45 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 76.2 t-105 -58.75 -43.77 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 31.2 mtp180 -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -55.97 -40.25 72.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -61.68 137.69 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 t -78.62 161.25 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -52.64 -53.54 45.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -52.46 -20.3 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -86.72 -38.21 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 47.9 mtt180 -78.28 -21.31 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.498 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.57 -58.93 0.51 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.74 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -60.05 -15.45 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 96.0 t -84.95 -38.64 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -83.62 -45.87 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -49.43 -43.49 44.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.03 -44.58 78.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -65.91 -49.77 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -57.19 -38.32 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 28.5 mtm105 -62.15 -33.2 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.51 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.509 ' CG ' HG22 ' A' ' 31' ' ' VAL . 32.0 m0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.739 0.305 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -45.88 -39.25 8.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -69.57 -58.54 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 1.2 mm-40 -54.04 -29.0 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -59.37 -22.85 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.04 -28.08 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 19' ' ' GLU . 6.4 mt -75.09 -15.64 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.71 -116.74 8.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.51 -9.59 9.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.456 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.7 mmm -95.5 -7.17 38.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -38.02 126.0 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 57.0 p -84.87 15.25 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -120.62 160.21 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -72.57 -59.11 2.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.68 . . . . 0.0 111.082 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.2 Cg_endo -69.77 -51.27 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 16' ' ' TRP . 10.8 t -55.05 -21.29 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 tp -87.81 -49.4 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -48.01 -58.94 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 2.4 p -53.37 -52.25 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.429 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 54.4 m-20 -42.34 -37.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.95 -64.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -53.04 -54.67 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' THR . 93.0 m-85 -106.66 86.69 2.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.87 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -84.56 12.32 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.446 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 5.9 tp -44.5 -45.05 9.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.05 -35.31 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 30.4 mm-40 -71.99 -54.79 8.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 19.2 mt-10 -52.84 -38.24 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.67 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.1 m-85 -134.86 93.92 17.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 110.08 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' THR . 47.7 t-105 -44.01 -62.25 1.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -42.55 -23.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' TRP . 72.7 m -95.79 -36.6 11.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 24.1 ttp180 -69.8 -55.29 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 53' ' ' LYS . 14.3 p -40.4 -47.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 29.6 mttm -51.74 -41.33 61.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.67 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 20.4 mm100 -62.0 -59.32 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.4 mt -38.51 -35.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -58.13 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 10.7 pttp -55.79 -50.61 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.6 mt -59.01 -36.05 74.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 29' ' ' ALA . 71.3 t-105 -65.81 -54.27 29.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -56.94 -43.29 81.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -48.68 -42.63 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.68 123.46 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 m -57.7 151.57 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -47.41 -45.12 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.66 -27.12 62.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.63 -36.77 57.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.522 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 7.1 mtp180 -78.78 -20.44 49.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.62 -58.28 0.55 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.71 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -60.11 -15.31 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 92.4 t -85.61 -37.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -83.33 -41.92 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -52.69 -49.31 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.71 -49.04 29.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 -61.09 -46.94 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.51 -36.55 80.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -57.7 -31.87 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 53.6 mtp180 -68.16 -35.33 77.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.41 -49.84 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.516 ' CG ' HG23 ' A' ' 31' ' ' VAL . 20.0 m0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.699 0.285 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.6 tm-20 -37.2 -42.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -66.11 -47.6 73.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -66.71 -27.43 67.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -58.12 -21.77 48.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.63 21.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 9.6 mt -68.85 -19.0 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 57.77 -119.54 17.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.08 -14.74 7.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.7 mmm -87.76 -17.22 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -34.07 118.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 66.1 p -78.09 5.76 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.467 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 1.3 t -105.24 160.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -74.1 -59.53 1.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.3 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.289 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.516 HG23 ' CG ' ' A' ' 16' ' ' TRP . 6.2 t -54.97 -19.77 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -91.21 -48.48 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.455 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t80 -49.96 -56.0 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 p -58.88 -42.96 90.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 46.4 m-20 -48.93 -36.69 17.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -88.97 -65.21 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 35.3 m-80 -50.59 -50.5 53.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 32.9 m-85 -106.64 86.65 2.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -37.45 9.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.76 2.307 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -93.24 15.73 14.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -45.07 -50.43 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -47.97 -56.24 8.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.21 -58.34 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -46.07 -40.93 11.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 39.2 m-85 -134.77 94.29 16.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.7 0.762 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -46.32 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.77 111.07 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.526 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 31.6 t-105 -42.49 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.53 -29.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -90.91 -39.55 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -68.74 -54.77 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.526 ' HB ' ' CZ2' ' A' ' 48' ' ' TRP . 8.9 p -42.28 -45.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -55.16 -43.55 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm100 -60.3 -32.71 71.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.38 -37.27 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -53.98 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 8.4 ptmt -56.91 -49.08 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 27.3 mt -65.25 -22.86 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 29' ' ' ALA . 73.2 t-105 -81.4 -46.55 14.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.48 -46.9 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -25.99 30.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.66 132.11 44.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -63.32 148.76 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 m -50.44 -44.74 55.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -61.59 -19.48 62.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -80.65 -37.15 31.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 20.0 mtp180 -78.17 -22.0 49.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.498 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -32.74 -58.66 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.04 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 57.0 m-85 -60.66 -15.06 24.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 85.3 t -85.4 -37.42 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -85.02 -44.84 12.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -52.62 -44.06 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -47.41 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -63.5 -48.32 78.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.12 -39.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -52.26 -37.55 55.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.402 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 45.4 mtt85 -60.05 -45.04 94.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -55.43 -52.14 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.477 ' CG ' HG22 ' A' ' 31' ' ' VAL . 18.6 m0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -39.92 -35.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -77.51 -57.69 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.488 ' OE2' ' CG2' ' A' ' 27' ' ' THR . 1.1 mm-40 -56.94 -20.46 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mm-40 -66.12 -21.15 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.52 -24.81 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.08 -11.8 59.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.451 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.72 -116.01 5.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.6 -13.59 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.6 mmm -95.15 11.92 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.06 127.01 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.488 ' CG2' ' OE2' ' A' ' 19' ' ' GLU . 56.9 p -83.87 21.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.405 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -128.65 156.13 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.59 -57.71 5.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 54.1 Cg_endo -69.7 -47.58 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 16' ' ' TRP . 5.3 t -61.64 -16.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 30.1 tp -92.43 -47.14 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.92 -56.64 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 p -57.16 -51.53 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.451 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 55.4 m-20 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.37 -64.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -52.45 -51.78 57.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 38.9 m-85 -106.79 86.11 2.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.63 10.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -89.72 13.08 15.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' LYS . 11.8 tp -43.71 -58.23 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -37.02 -58.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.49 -61.68 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -40.97 -41.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.677 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 14.8 m-85 -134.98 94.05 16.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.27 118.03 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 39.6 t-105 -50.09 -62.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.31 -23.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.7 m -94.15 -43.2 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -64.23 -53.26 51.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.4 p -43.79 -40.91 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -61.66 -44.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.677 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 24.5 mm100 -57.44 -42.56 82.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.2 mt -56.04 -37.1 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.94 -59.9 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.7 ptmt -52.8 -48.32 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 19.4 mt -65.82 -26.47 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 67.7 t-105 -78.91 -39.54 34.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -64.43 -54.18 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 6.1 ptmt -48.52 -33.64 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -61.81 126.77 28.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -64.08 149.36 47.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -47.72 -46.95 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -55.23 -28.34 52.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 6.8 tp10 -76.71 -35.22 57.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 4.4 mtp-105 -77.7 -23.96 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.66 -58.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.54 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 66' ' ' GLU . 44.8 m-85 -59.69 -15.83 22.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.4 t -85.48 -37.0 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -84.34 -46.42 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -49.73 -44.68 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.19 -47.49 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -61.97 -46.61 88.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.67 -37.12 86.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -58.93 -29.74 67.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -68.57 -33.63 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.06 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.453 ' CZ3' HG22 ' A' ' 55' ' ' ILE . 15.8 m0 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.753 0.311 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.65 -42.72 25.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -66.36 -56.01 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.47 ' OE2' ' CG2' ' A' ' 27' ' ' THR . 0.5 OUTLIER -55.0 -34.55 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -52.15 -35.62 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.47 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 14.2 mt -70.0 -17.79 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 58.34 -118.96 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -60.12 -13.04 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.0 mmm -90.0 -9.46 48.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . . . -36.52 127.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.47 ' CG2' ' OE2' ' A' ' 19' ' ' GLU . 43.2 p -85.95 15.4 5.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -122.55 158.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.07 -57.12 5.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.7 Cg_endo -69.74 -44.07 2.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 19' ' ' GLU . 16.7 t -61.92 -22.42 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 tp -88.28 -50.81 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -45.44 -56.12 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -60.61 -43.37 97.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' ND2' ' HB3' ' A' ' 26' ' ' ALA . 49.9 m-20 -49.82 -33.6 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.3 mt -92.35 -62.53 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -53.78 -50.43 66.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 52.2 m-85 -109.29 87.1 4.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.83 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.75 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -83.51 14.06 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -43.88 -57.25 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -60.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.57 -58.68 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm-40 -44.05 -40.3 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.692 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 5.4 m-85 -134.62 93.88 17.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.31 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.27 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.16 115.24 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -49.61 -61.99 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.48 -24.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.3 m -94.61 -35.32 12.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.22 -53.42 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 53' ' ' LYS . 13.5 p -46.58 -28.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 52' ' ' VAL . 29.6 mttm -68.36 -35.81 78.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.692 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 8.1 mm100 -68.74 -58.33 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.453 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 77.1 mt -40.72 -34.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.93 -55.72 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 19.8 pttt -59.81 -47.61 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.568 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 74.7 mt -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 71.0 t-105 -77.27 -45.66 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 29.3 mtp180 -55.26 -53.72 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -46.01 -31.84 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.84 138.41 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -87.74 155.14 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -43.49 -56.45 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -27.86 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -81.78 -38.25 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 29.1 mtt180 -78.89 -19.6 51.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.508 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.18 -58.48 0.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.76 -51.24 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -59.96 -15.29 20.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 91.7 t -86.24 -42.93 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.94 -48.69 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -47.35 -52.06 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.47 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 -63.92 -48.23 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.97 -39.03 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -54.49 -34.73 62.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.462 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 37.9 mtp180 -66.54 -42.21 87.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -49.3 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.5 m0 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.713 0.292 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 48' ' ' TRP . 5.0 pt-20 -42.79 -36.98 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -60.81 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -36.73 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 18.5 mm-40 -46.42 -39.73 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -34.6 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 13.2 mt -69.22 -16.46 63.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 56.32 -117.71 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.22 -14.12 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.451 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.0 mmm -90.59 -7.16 53.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . . . -39.41 122.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.442 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 69.2 p -84.29 19.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 t -124.82 156.03 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.07 -57.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 52.9 Cg_endo -69.81 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.296 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 20' ' ' GLU . 5.0 t -58.27 -15.02 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.0 tp -93.9 -55.2 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -42.21 -51.17 4.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.3 p -63.48 -47.64 80.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 26' ' ' ALA . 43.5 m-20 -44.97 -41.94 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -87.34 -65.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -47.94 -52.82 18.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -106.32 88.07 3.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.81 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -90.21 12.58 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 42' ' ' LYS . 7.1 tp -38.73 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -34.9 -43.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -57.63 -59.77 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.3 mm-40 -49.67 -42.37 45.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.608 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 5.9 m-85 -134.97 93.58 17.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.58 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.33 111.26 6.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.3 t-105 -44.43 -62.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -40.56 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 86.2 m -97.86 -34.85 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' GLN . 23.8 ttp180 -70.93 -52.45 19.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 53' ' ' LYS . 11.4 p -40.68 -45.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 52' ' ' VAL . 31.1 mttm -53.32 -39.03 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.608 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 25.3 mm100 -66.57 -52.23 47.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -46.25 -31.73 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.97 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -53.53 -49.44 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 50.7 mt -58.38 -33.43 69.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 62.5 t-105 -73.83 -36.17 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.41 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 9.7 mmm180 -62.19 -51.2 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -41.38 -47.81 3.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' NE ' ' A' ' 67' ' ' ARG . . . -61.17 129.57 41.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.072 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -78.63 158.57 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.99 -52.7 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.85 -30.41 45.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.58 -36.46 44.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 41.0 mtt180 -79.79 -16.91 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -35.41 -57.94 0.85 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -59.48 -17.11 28.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.8 t -85.82 -40.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -76.77 -48.26 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -49.75 -45.21 49.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.07 -47.28 68.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -63.99 -50.38 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.31 -39.58 76.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.79 -38.96 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.442 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 60.8 mtt180 -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -49.1 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.429 ' CG ' HG23 ' A' ' 31' ' ' VAL . 22.6 m0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -52.2 -38.51 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -73.69 -52.79 12.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -59.25 -29.32 67.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.16 -26.32 62.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -32.78 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 36.9 mt -70.44 -15.32 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.76 -120.74 23.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -59.53 -17.22 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.5 mmm -85.19 -8.52 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.44 130.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.9 p -88.36 8.06 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -115.76 157.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.83 -56.64 5.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.564 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.3 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 HG22 ' CG2' ' A' ' 28' ' ' VAL . 19.4 t -64.77 -20.7 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.4 tp -88.39 -49.24 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -49.79 -58.82 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' PHE . 5.9 p -53.25 -53.83 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -40.47 -37.99 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -88.94 -62.83 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.56 -56.38 15.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 62.9 m-85 -106.73 86.83 2.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -42.31 3.42 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -88.37 17.19 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 5.4 tp -43.65 -59.5 2.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 pttp -36.83 -40.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.2 -63.94 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.5 mm-40 -43.03 -44.78 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.9 m-85 -134.81 93.55 17.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -48.49 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.09 113.79 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' THR . 45.0 t-105 -43.56 -65.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.52 -24.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.0 m -93.88 -36.88 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 19.6 ttp180 -70.92 -52.12 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -44.03 -46.57 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 52' ' ' VAL . 45.2 mttm -52.84 -33.93 51.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 30.9 mm100 -69.01 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLN . 68.6 mt -36.47 -32.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -72.5 -49.78 30.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.36 -38.5 87.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 35.6 mt -73.15 -33.52 65.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.578 ' CZ2' ' HB3' ' A' ' 29' ' ' ALA . 68.8 t-105 -69.08 -51.72 35.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -57.73 -50.28 73.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.12 -44.56 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 123.06 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 m -60.01 159.65 9.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 m -51.84 -48.67 63.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -56.16 -18.24 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.49 -39.59 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 15.1 mtp180 -78.5 -20.4 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.501 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -32.83 -58.72 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.529 0.68 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -60.23 -14.53 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 88.1 t -86.56 -37.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -43.37 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -52.56 -48.74 65.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.0 -52.65 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -57.87 -47.73 81.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.4 -40.38 78.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -55.34 -35.2 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -62.28 -38.83 90.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.57 75.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.065 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -88.3 173.23 8.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 p -115.54 176.08 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.82 -135.26 10.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 92.4 p -116.04 135.09 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLY . 75.8 m -35.56 121.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.45 121.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -45.76 110.65 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.17 82.66 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -173.41 106.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.27 122.14 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -153.51 158.03 40.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -58.06 -22.41 50.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.74 -29.3 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -86.05 -46.92 10.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CG ' HG23 ' A' ' 31' ' ' VAL . 26.4 m0 -41.95 -50.07 4.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.65 -37.04 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.95 -56.85 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -55.84 -24.63 37.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 7.9 mm-40 -60.42 -31.63 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.25 -30.51 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 8.5 mt -75.0 -13.77 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.27 -115.91 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.9 -16.05 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 33.5 mmm -90.69 2.1 56.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.32 124.44 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.466 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 29.7 p -81.9 17.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -122.05 156.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.82 -57.76 4.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.3 Cg_endo -69.79 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 ' CG ' ' A' ' 16' ' ' TRP . 9.2 t -56.69 -17.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.1 tp -92.25 -53.31 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -44.25 -54.11 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.2 p -59.84 -45.58 91.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 74.6 m-20 -49.61 -33.95 16.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.4 mt -92.58 -65.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -50.94 -48.08 60.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.563 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 70.2 m-85 -112.76 84.52 6.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.13 8.21 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.37 9.62 22.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 42' ' ' LYS . 8.2 tp -37.79 -62.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LEU . 19.1 ptmt -36.92 -46.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.09 -58.1 9.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 14.5 mm-40 -52.38 -40.14 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 10.6 m-85 -134.75 93.73 17.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.743 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -43.85 2.45 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.12 113.71 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.435 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 40.1 t-105 -45.57 -59.78 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.5 -26.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -97.11 -36.47 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.494 ' CZ ' ' OE1' ' A' ' 20' ' ' GLU . 37.8 ttp180 -68.19 -51.99 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.435 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 10.9 p -45.1 -43.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' N ' HG11 ' A' ' 52' ' ' VAL . 33.8 mttm -59.28 -37.88 78.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.685 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 29.9 mm100 -65.38 -31.59 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 95.3 mt -66.96 -35.94 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -57.76 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.1 ptmt -50.64 -48.93 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 22.9 mt -63.28 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 75.7 t-105 -63.99 -48.85 74.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 50.1 mtp180 -61.76 -37.19 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -55.67 -43.33 76.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -64.13 151.67 42.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -89.88 155.05 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.33 -47.91 25.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.8 -25.27 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -82.67 -38.13 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.555 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 38.7 mtt180 -79.25 -16.08 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.504 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -35.6 -58.79 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.504 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -59.31 -16.34 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 75.6 t -84.24 -39.21 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -80.81 -47.18 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -48.01 -48.19 32.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.54 -43.41 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.052 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -68.67 -45.8 70.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -64.54 -30.78 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -61.42 -30.42 70.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.466 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 85.3 mtm180 -67.99 -32.3 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -49.45 38.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.94 -40.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 75.8 mt -58.25 -60.97 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.04 -48.06 53.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.3 mp -68.1 -73.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -54.31 -179.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 tttt 61.48 39.07 15.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.1 p -45.41 122.12 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -140.16 146.4 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.1 tpt -116.88 118.82 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 m -122.34 139.64 53.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 p -82.99 91.19 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -66.44 -52.65 44.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.1 161.42 10.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -137.57 164.29 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -115.76 115.39 26.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.79 90.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -95.77 143.54 26.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.33 139.26 39.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -142.32 109.21 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.1 ptt-85 -132.13 141.42 49.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.791 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -106.52 97.74 7.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -66.14 -13.75 60.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 mt -76.2 -15.56 60.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -113.24 28.02 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.495 ' CG ' HG21 ' A' ' 31' ' ' VAL . 25.4 m0 -113.78 -39.02 4.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.89 -27.61 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.76 -53.91 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.8 OUTLIER -61.54 -22.45 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.48 -32.94 72.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.81 63.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.412 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 15.0 mt -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.447 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.21 -115.99 5.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.39 -14.49 19.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.412 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 31.9 mmm -93.32 1.5 56.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.1 125.14 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.448 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 49.5 p -80.79 6.55 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.421 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -108.44 159.24 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -72.83 -59.67 2.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 0.0 111.067 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.576 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.306 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.495 HG21 ' CG ' ' A' ' 16' ' ' TRP . 4.2 t -55.65 -19.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.7 tp -90.65 -49.25 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -47.93 -56.62 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -58.05 -49.96 75.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.447 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 78.2 m-20 -42.66 -34.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.4 mt -92.58 -63.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -52.54 -53.62 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 49.3 m-85 -107.77 85.12 2.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -40.09 5.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 41' ' ' LEU . 71.4 m-20 -85.09 8.17 18.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' ASN . 6.6 tp -37.25 -53.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -43.33 -51.8 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.81 -59.77 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.8 mt-10 -48.87 -41.29 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.669 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 1.9 m-85 -134.91 93.56 17.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 120.28 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.446 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 37.8 t-105 -52.68 -59.33 4.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.4 -23.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 m -99.58 -32.21 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -73.37 -51.03 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.4 p -47.56 -44.1 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 85.1 mttt -55.15 -40.17 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.669 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 17.0 mm100 -62.87 -59.01 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.9 mt -38.85 -35.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.33 -56.34 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 26.3 pttt -58.48 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.562 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 20.9 mt -58.38 -33.62 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 73.8 t-105 -72.69 -53.34 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.425 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 62.1 mtt85 -58.92 -37.08 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -54.67 -39.82 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -68.78 146.99 52.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.1 m -84.64 156.23 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.57 -49.24 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.24 -23.63 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.91 -35.94 23.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.49 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 46.8 mtt180 -80.87 -12.55 59.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.52 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -40.62 -57.53 3.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.52 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.2 Cg_endo -69.79 -48.76 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -61.96 -18.49 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 69.2 t -84.99 -39.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -80.0 -48.78 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -49.3 -48.95 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.45 -35.88 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -73.33 -42.62 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -67.81 -34.63 77.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -55.62 -35.19 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.448 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 89.2 mtt180 -63.19 -34.84 78.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' CD1' ' A' ' 83' ' ' ILE . . . -66.72 -50.61 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.22 -41.36 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.0 mt -56.52 -61.21 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 13.2 mtp-105 -45.31 -57.39 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.443 ' CD1' ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -57.15 -64.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 85' ' ' LYS . 65.5 m-80 -64.78 177.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 84' ' ' ASN . 7.6 ptmt 32.62 44.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.2 t -40.71 120.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -87.96 -59.37 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.1 ptp -69.34 150.08 47.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.1 t -130.34 107.37 9.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -90.23 84.85 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.905 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -142.68 131.69 23.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.4 65.19 0.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -160.99 154.65 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -157.54 160.85 38.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.53 -60.49 0.39 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.03 94.31 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.71 148.45 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.056 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -90.98 95.95 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -94.97 83.87 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -86.15 79.24 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.7 p -128.34 85.34 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mp -129.32 -57.64 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -61.45 -38.72 88.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.503 ' CG ' HG22 ' A' ' 31' ' ' VAL . 18.2 m0 -45.59 -52.26 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -50.27 -35.99 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -74.1 -55.19 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.9 OUTLIER -56.02 -33.87 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' OE1' ' NE ' ' A' ' 51' ' ' ARG . 6.1 mm-40 -51.61 -28.46 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.84 55.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 9.3 mt -69.6 -15.82 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.23 -118.47 11.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.28 -17.55 29.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.415 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.3 mmm -86.45 -10.29 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -36.1 123.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.7 p -82.49 17.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -121.88 158.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.574 ' HB1' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.61 -58.71 3.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.8 Cg_endo -69.78 -50.98 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.503 HG22 ' CG ' ' A' ' 16' ' ' TRP . 6.9 t -57.01 -16.01 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -94.26 -49.97 5.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 27.4 t80 -46.85 -54.51 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 p -58.3 -55.16 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.121 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.426 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 68.7 m-20 -40.53 -35.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.46 -64.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 11.3 m-80 -49.81 -54.6 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -106.04 89.07 3.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -36.89 9.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.05 14.89 16.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.403 HD23 ' CG ' ' A' ' 51' ' ' ARG . 6.3 tp -42.15 -48.49 4.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.42 -44.27 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.63 -58.76 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 4.3 mp0 -50.3 -41.24 50.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.69 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 4.8 m-85 -134.96 93.81 16.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.677 0.751 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -41.57 4.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.39 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.55 115.01 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.464 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 49.5 t-105 -46.83 -58.26 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -40.76 -30.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -94.16 -34.45 12.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' NE ' ' OE1' ' A' ' 20' ' ' GLU . 35.4 ttp180 -68.14 -53.19 26.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.0 p -46.79 -43.15 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' N ' HG11 ' A' ' 52' ' ' VAL . 36.0 mttm -55.63 -35.93 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.69 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 20.8 mm100 -67.56 -61.8 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLN . 61.5 mt -37.5 -34.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -62.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.548 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 5.3 ptpt -53.23 -50.7 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.548 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 27.8 mt -54.76 -47.0 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CZ2' ' HB1' ' A' ' 29' ' ' ALA . 73.4 t-105 -63.01 -42.63 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.413 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 59.3 mtt-85 -62.86 -39.66 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -56.59 -43.33 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.11 53.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -88.05 153.93 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -43.35 -54.18 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -50.06 -30.12 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -78.73 -37.11 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.496 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 42.2 mtt180 -79.69 -13.66 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -37.65 -58.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -59.17 -17.59 28.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 74.9 t -85.22 -37.19 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -79.84 -49.59 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -48.39 -47.9 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.421 ' HB3' ' C ' ' A' ' 28' ' ' VAL . . . -51.28 -38.87 55.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -70.63 -46.72 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.89 -35.2 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.17 -35.56 71.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -62.63 -36.32 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.452 ' O ' ' CD1' ' A' ' 83' ' ' ILE . . . -64.41 -51.11 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.9 -42.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' ARG . 31.2 mt -67.37 -53.8 26.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 81' ' ' LEU . 6.8 ttt85 -36.12 -59.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 79' ' ' ALA . 4.7 mp -52.78 -47.15 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -91.14 82.74 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -171.67 124.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -38.41 101.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -40.24 139.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.4 164.67 19.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -121.71 88.09 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -147.08 149.95 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -58.59 -49.46 77.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.0 137.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -110.74 115.51 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -129.8 142.69 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.74 159.12 29.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -173.27 154.68 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.52 111.73 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -168.43 137.69 2.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -41.67 157.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.7 m -150.74 164.53 35.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 p 54.31 54.79 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -98.65 -60.69 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -43.93 -42.52 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.512 ' CG ' HG21 ' A' ' 31' ' ' VAL . 16.4 m0 -47.4 -51.54 19.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.85 -26.16 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -86.99 -48.96 7.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 2.9 mm-40 -64.47 -23.81 67.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 11.3 mm-40 -63.07 -22.93 67.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.42 -30.65 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.461 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 17.3 mt -71.37 -15.88 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.407 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 54.12 -114.47 4.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.0 -11.15 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.461 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.6 mmm -95.32 -11.71 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -35.43 125.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.432 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 60.5 p -81.82 17.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -123.92 157.9 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.575 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.91 -58.46 3.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.578 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.6 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG21 ' CG ' ' A' ' 16' ' ' TRP . 6.5 t -56.68 -16.03 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD2' ' HE2' ' A' ' 73' ' ' LYS . 15.0 tp -92.53 -48.93 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -49.88 -57.17 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 38' ' ' PHE . 14.0 p -56.13 -48.93 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 60.2 m-20 -44.18 -34.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.64 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.78 -54.0 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.561 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 46.1 m-85 -106.58 86.85 2.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.69 14.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 50.7 m-80 -90.45 9.56 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' ASN . 13.6 tp -37.02 -46.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -52.57 -58.61 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -55.91 -60.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -43.25 -42.71 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 21.3 m-85 -134.95 94.25 16.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -66.25 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' ARG . 59.3 t-105 -47.43 -62.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.66 -27.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' TRP . 93.7 m -95.68 -32.64 12.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 51.4 ttp180 -71.37 -51.04 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -46.11 -46.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -55.32 -50.64 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.555 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 21.1 mm100 -52.87 -34.62 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.4 -40.84 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.5 -59.24 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 15.6 ptmt -46.57 -47.89 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 27.8 mt -65.66 -36.64 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.578 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 72.3 t-105 -61.94 -52.39 64.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.9 mtm-85 -58.9 -48.76 80.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -44.86 -45.15 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 127.49 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 t -60.57 151.59 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -48.31 -49.73 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -55.18 -22.71 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.72 -37.36 35.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.558 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 8.1 mtp180 -78.91 -19.14 52.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.46 -58.44 0.52 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 54.0 Cg_endo -69.73 -51.14 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.8 -15.87 23.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.1 t -83.73 -40.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -79.64 -42.62 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.458 ' HE2' ' CD2' ' A' ' 32' ' ' LEU . 3.3 ttpt -51.95 -46.05 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -39.25 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -70.77 -44.86 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.09 -36.86 85.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -55.91 -35.79 66.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.432 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 74.2 mtt180 -63.49 -40.4 96.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.81 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -38.1 -50.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.98 -55.75 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -44.55 -48.52 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.8 mp -68.12 -54.35 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -81.48 78.53 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -105.47 132.41 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 8.5 p -89.95 123.06 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -153.12 126.7 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -23.37 24.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 p -123.08 144.88 49.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -157.7 136.5 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 p -148.61 147.25 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.59 69.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.536 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 p -132.24 153.7 50.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.831 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.5 p -131.72 96.08 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.85 -164.84 27.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -100.37 123.78 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.07 41.35 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -72.27 129.47 38.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -88.53 129.08 35.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 m -162.27 161.48 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -91.67 -38.9 12.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 mt -42.61 -28.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -80.67 -50.66 9.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.519 ' CG ' HG22 ' A' ' 31' ' ' VAL . 28.4 m0 -43.02 -46.3 5.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -51.06 -37.95 48.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.38 -49.15 65.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.422 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 1.6 mm-40 -66.54 -24.62 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.12 -26.41 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 19' ' ' GLU . 6.6 mt -79.7 -16.24 56.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.39 -112.99 2.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.82 -19.12 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 mtp -93.97 12.25 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.5 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 35.6 p -84.54 25.96 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.437 ' CB ' HG21 ' A' ' 31' ' ' VAL . 0.9 OUTLIER -132.37 156.16 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.575 ' HB1' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.71 -57.76 5.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.54 0.686 . . . . 0.0 111.08 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.5 Cg_endo -69.77 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG22 ' CG ' ' A' ' 16' ' ' TRP . 6.0 t -56.9 -15.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.4 tp -94.15 -50.76 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.973 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -47.32 -53.6 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' PHE . 18.1 p -61.53 -53.17 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 41.5 m-20 -41.51 -39.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -89.25 -64.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -49.67 -54.51 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 87.1 m-85 -106.47 87.54 2.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.38 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -80.68 8.88 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.12 -59.08 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -40.37 -43.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.54 -62.16 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.512 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 23.2 mt-10 -44.94 -44.01 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 m-85 -134.84 93.77 17.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.15 108.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' THR . 53.3 t-105 -43.65 -61.93 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -41.27 -25.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' TRP . 38.1 m -96.13 -38.84 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.469 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 5.3 ttp-105 -66.9 -51.87 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.9 p -39.72 -50.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -50.73 -49.02 58.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.689 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 mm100 -51.44 -57.51 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.3 mt -44.53 -34.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.79 -54.32 28.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 18.5 pttt -62.76 -49.15 76.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 50.9 mt -57.86 -34.51 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 73.0 t-105 -71.86 -51.0 24.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.26 -43.23 96.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -49.26 -43.72 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 148.79 43.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -81.73 150.31 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.83 -44.53 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.2 -23.97 64.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -82.22 -34.85 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.526 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 9.5 mtp180 -79.45 -18.86 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.521 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -34.7 -57.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.79 -51.27 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.57 -16.67 26.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 92.9 t -84.32 -39.85 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -79.3 -46.51 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -47.63 -50.35 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.65 52.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -67.18 -44.04 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.1 -37.68 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.05 -35.11 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -64.6 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.38 -44.84 65.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.8 mt -50.11 -56.73 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -50.27 -26.35 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.34 -53.81 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -97.54 178.31 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 38.15 46.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.67 147.26 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -89.58 139.81 30.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.89 147.51 45.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -151.15 162.68 40.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -104.38 -48.86 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t 61.67 44.22 9.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.77 169.0 32.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -54.92 -54.28 44.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 m -47.24 100.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.98 59.68 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -104.1 122.42 45.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.15 130.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -63.14 -49.23 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -132.76 137.56 46.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -141.49 130.92 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.5 p -83.9 36.87 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.8 mt -102.53 -53.3 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.69 -38.55 75.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.408 ' CZ3' HG21 ' A' ' 55' ' ' ILE . 15.0 m0 -45.99 -43.46 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.23 -30.25 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -77.33 -50.42 12.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 4.2 mm-40 -63.03 -28.72 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 7.6 mm-40 -57.0 -29.73 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.42 -32.74 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 17.4 mt -71.16 -15.63 62.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 55.43 -117.44 8.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.18 -14.83 19.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.437 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.7 mmm -90.76 -6.39 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.29 124.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -82.63 14.32 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -119.04 158.18 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.574 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.62 -58.92 3.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.6 Cg_endo -69.76 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.448 ' CG1' ' HG2' ' A' ' 20' ' ' GLU . 5.2 t -55.71 -21.2 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.7 tp -87.99 -49.2 7.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -48.24 -58.89 3.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 p -54.75 -50.9 67.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.466 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 70.9 m-20 -43.03 -35.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.3 mt -89.61 -64.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.92 -54.12 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.562 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 42.4 m-85 -110.58 86.64 5.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -41.22 4.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.638 2.226 . . . . 0.0 112.378 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -86.76 13.48 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 5.5 tp -39.98 -58.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -37.91 -40.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.19 -64.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.84 -43.38 4.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 m-85 -134.58 93.76 18.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -42.25 3.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.92 110.14 6.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' THR . 54.0 t-105 -43.35 -63.76 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.79 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.1 m -97.25 -35.82 10.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.439 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 4.6 ttp-105 -70.46 -50.75 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.9 p -44.66 -39.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 41.7 mttm -62.83 -33.29 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 29.8 mm100 -69.24 -34.18 74.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.408 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 93.3 mt -64.81 -38.0 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.01 5.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.7 ptmt -52.85 -48.55 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.562 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 39.9 mt -64.25 -34.87 79.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 67.9 t-105 -64.29 -53.88 42.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.0 mtp-105 -62.03 -41.88 98.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -47.5 -38.55 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.7 137.71 49.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 t -66.93 155.1 39.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -51.54 -47.92 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.87 -11.7 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -88.41 -36.87 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 10.5 mtp180 -79.24 -18.31 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.506 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -34.01 -58.29 0.6 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -59.83 -15.85 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.6 t -84.27 -42.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.02 -43.9 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -50.31 -49.94 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.06 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -71.16 -41.66 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -68.19 -35.91 78.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -54.36 -35.31 62.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -64.64 -33.54 76.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.11 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -38.6 -46.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.21 -52.19 64.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -47.63 -54.3 12.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.2 mp -51.66 -35.12 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.92 -16.43 47.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -133.97 99.96 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.7 p -163.47 151.0 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 53.63 33.7 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 tpt -90.05 -53.87 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.4 m -88.12 48.26 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -116.27 111.16 19.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -105.23 170.74 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.72 83.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -120.63 160.08 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -107.47 -50.22 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.41 145.46 16.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.86 134.93 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.15 -43.5 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -115.47 150.6 36.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -82.02 112.7 19.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t -116.57 160.09 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -83.68 34.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -102.21 -59.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -54.86 -37.28 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.44 ' CG ' HG21 ' A' ' 31' ' ' VAL . 14.1 m0 -45.05 -60.25 2.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.13 -38.0 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.441 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -70.68 -42.72 70.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -70.4 -19.54 63.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.415 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 12.0 mm-40 -65.89 -20.98 66.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.09 -31.75 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.88 -20.8 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 61.53 -121.64 26.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.12 -11.15 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 26' ' ' ALA . 4.2 mtp -91.38 -16.7 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -33.62 121.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -78.08 8.79 4.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' CB ' HG23 ' A' ' 31' ' ' VAL . 1.5 t -110.4 157.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -72.56 -59.18 2.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.565 0.698 . . . . 0.0 111.035 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.8 Cg_endo -69.68 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 HG23 ' CB ' ' A' ' 28' ' ' VAL . 2.8 t -58.41 -13.69 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 17.7 tp -94.21 -49.41 5.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -51.35 -54.42 26.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.9 p -57.88 -43.64 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.426 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 31.5 m-20 -52.1 -30.31 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.43 -53.45 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.24 -55.47 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 55.2 m-85 -105.5 90.73 4.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -44.66 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . 9.9 m120 -82.95 8.4 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 40' ' ' ASN . 6.3 tp -37.83 -52.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.48 -62.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.467 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 11.4 mt-10 -38.37 -41.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 4.3 m-85 -134.97 93.62 17.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -44.12 2.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.17 108.12 3.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ARG . 50.4 t-105 -44.86 -62.86 1.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -40.44 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' TRP . 97.5 m -93.88 -35.56 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' TRP . 2.4 ttp-105 -70.6 -49.84 43.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.83 -25.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -76.15 -44.58 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 29.8 mm100 -58.79 -32.15 69.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.4 mt -69.1 -34.41 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.85 -50.08 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.486 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -60.1 -49.22 78.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 16.3 mt -63.27 -35.1 79.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 69.0 t-105 -63.55 -55.51 23.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -59.6 -39.75 85.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -49.55 -39.52 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 138.05 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -67.19 151.48 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.41 -49.11 25.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.38 -22.98 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -77.14 -35.16 56.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.525 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 7.0 mtp180 -80.17 -16.4 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.522 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -37.22 -57.36 1.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -48.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -62.6 -16.62 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.5 t -86.35 -37.71 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -81.81 -43.48 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.14 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.414 ' HA ' ' NH1' ' A' ' 78' ' ' ARG . 15.2 mtp85 -60.93 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -57.86 -39.72 78.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -52.67 -35.53 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.414 ' NH1' ' HA ' ' A' ' 75' ' ' ARG . 82.3 mtm-85 -60.67 -39.67 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.76 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.32 -45.85 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.1 mt -64.98 -51.71 60.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 82' ' ' ARG . 3.8 tmm_? -52.9 -43.24 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.27 -56.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -61.62 -175.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -118.79 18.54 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.0 t -109.03 98.69 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.454 ' H ' ' NE2' ' A' ' 87' ' ' GLN . 2.0 pm0 -142.36 158.62 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -163.59 134.28 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.6 t -68.52 -51.16 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -160.33 170.95 20.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.825 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 t -42.29 130.45 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.87 -95.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -108.05 120.54 42.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 m -94.33 176.4 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.88 126.88 7.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -139.18 174.38 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.0 -62.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -84.63 144.8 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -50.57 170.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.3 p -171.31 163.26 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -48.37 -37.4 16.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.4 mt -43.31 -32.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' NZ ' ' HB3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -85.82 -36.2 20.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -52.8 -57.56 9.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.87 -40.32 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.82 -51.84 66.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.491 ' OE2' ' CD1' ' A' ' 22' ' ' LEU . 1.2 mm-40 -61.35 -37.84 84.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 14.1 mm-40 -46.88 -31.92 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -33.47 65.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.491 ' CD1' ' OE2' ' A' ' 19' ' ' GLU . 15.8 mt -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.39 -116.08 8.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.48 -9.5 26.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.2 mtp -94.82 -9.35 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.35 125.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.418 ' C ' ' HB3' ' A' ' 74' ' ' ALA . 51.3 p -82.52 6.6 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.449 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -108.82 155.72 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.97 -57.97 4.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.5 Cg_endo -69.76 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' CG1' ' HG2' ' A' ' 20' ' ' GLU . 4.2 t -56.99 -15.01 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -94.13 -52.54 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -46.35 -53.57 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.1 p -60.89 -44.92 96.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -48.31 -34.52 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -93.41 -64.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -50.26 -51.05 47.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -106.47 87.82 2.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.48 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.727 2.285 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -86.58 14.89 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.7 tp -43.86 -56.34 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -43.66 -44.21 6.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -62.37 -58.51 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.09 -40.0 21.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 4.6 m-85 -133.87 93.36 20.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.306 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.04 110.97 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.8 t-105 -44.09 -60.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.73 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' TRP . 49.1 m -95.24 -38.65 10.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.1 ttp180 -65.92 -53.51 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.412 HG11 ' N ' ' A' ' 53' ' ' LYS . 11.7 p -46.28 -44.97 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' N ' HG11 ' A' ' 52' ' ' VAL . 38.9 mttm -55.61 -40.82 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.564 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 21.6 mm100 -62.79 -60.51 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.3 mt -39.11 -32.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -56.76 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.52 -48.46 81.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.7 mt -57.14 -35.48 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 74.5 t-105 -74.32 -46.07 43.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 24.4 mtp180 -59.78 -40.23 87.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.66 -42.86 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.88 138.14 58.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -80.15 156.97 26.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.45 -47.42 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -58.17 -24.89 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.26 -37.6 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 31.1 mtt180 -79.39 -16.06 56.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -35.7 -58.62 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.77 -51.23 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -59.54 -16.44 24.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 79.6 t -85.81 -39.08 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -79.23 -47.18 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -48.67 -51.37 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.418 ' HB3' ' C ' ' A' ' 27' ' ' THR . . . -49.06 -38.53 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -70.18 -45.03 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.3 -37.19 84.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -55.57 -37.53 68.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 40.5 mtp180 -59.46 -39.87 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.44 ' O ' ' CD1' ' A' ' 83' ' ' ILE . . . -59.78 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.2 -46.22 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.72 -55.24 28.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 12.2 ttm105 -41.36 -51.8 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.44 ' CD1' ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -65.49 -56.74 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -65.39 88.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -142.62 158.14 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.3 t -46.95 111.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -57.39 147.05 27.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.4 tpt 62.42 48.78 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.9 m -163.86 171.06 15.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -65.35 154.83 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -86.67 -57.01 3.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.91 -162.71 28.34 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -131.48 152.55 50.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -50.82 152.15 2.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.47 -135.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -161.11 114.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.71 173.1 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -112.41 83.46 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.74 153.69 43.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.1 m -101.92 26.37 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 p 51.62 51.07 17.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -95.42 -55.29 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -44.74 -40.24 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CG ' HG22 ' A' ' 31' ' ' VAL . 21.3 m0 -62.48 -59.47 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -45.59 -32.3 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.18 -45.81 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -67.2 -23.18 65.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 8.0 mm-40 -59.97 -19.33 51.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 -40.4 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.0 -26.29 65.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 66.29 -119.32 12.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.2 -15.12 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.3 mtp -89.87 -8.22 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.52 120.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 50.3 p -76.6 5.31 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CB ' HG21 ' A' ' 31' ' ' VAL . 1.5 t -106.79 158.16 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -73.07 -59.11 2.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.6 Cg_endo -69.76 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.52 HG22 ' CG ' ' A' ' 16' ' ' TRP . 3.2 t -55.96 -18.24 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.6 tp -90.44 -50.24 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -49.97 -55.82 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 p -58.13 -42.24 85.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 29.7 m-20 -52.02 -33.59 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -90.4 -60.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -55.45 -50.86 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -105.34 90.99 4.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -40.49 5.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -96.01 19.57 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.37 -47.3 6.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -51.68 -51.86 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.91 -57.96 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 mp0 -48.77 -41.28 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 16.3 m-85 -135.0 93.65 17.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.91 107.66 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.434 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 51.1 t-105 -44.4 -63.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -42.01 -25.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' TRP . 74.1 m -94.16 -36.6 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -71.49 -51.76 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.1 p -41.25 -29.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.16 -45.27 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 28.9 mm100 -59.2 -31.22 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.5 mt -68.51 -34.77 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.473 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 7.5 ptmm? -66.67 -49.28 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.473 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 38.2 mt -63.67 -25.89 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 73.0 t-105 -79.89 -45.48 18.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.12 -49.67 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -52.66 -28.49 21.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.01 131.56 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 p -62.5 149.07 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -49.41 -47.17 48.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -58.76 -21.32 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.82 -39.12 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.507 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 15.1 mtp180 -77.72 -22.74 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.49 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -32.31 -59.09 0.4 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -51.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -60.17 -14.59 18.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 88.8 t -86.18 -37.83 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -83.18 -43.98 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -54.02 -44.01 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.02 67.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -67.6 -45.2 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -62.79 -38.09 89.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -53.84 -34.92 60.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 mtm105 -61.7 -40.91 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -59.88 -52.14 66.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -37.21 -46.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.13 -56.07 15.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -42.18 -43.83 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.7 mp -73.1 -56.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.8 p30 43.24 48.86 5.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt 45.4 49.95 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 p -85.12 -14.38 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -89.52 44.82 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.2 mmt -85.27 -46.21 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.6 t -41.88 -38.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -106.51 116.3 31.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -118.5 131.25 56.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.26 178.57 47.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -70.37 106.7 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -127.36 168.01 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.32 170.09 13.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' ALA . 46.6 m-80 -62.06 87.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' ASN . . . -37.53 -51.52 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -82.28 101.85 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -94.53 174.51 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 m -85.91 -177.55 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 14' ' ' LEU . 68.1 p -45.48 -39.21 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' THR . 21.1 mt -35.68 -35.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' THR . 2.9 tmtm? -63.27 -56.7 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.516 ' CG ' HG23 ' A' ' 31' ' ' VAL . 32.4 m0 -39.68 -55.74 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.5 tp10 -37.03 -39.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -64.04 -51.93 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.468 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -63.15 -31.98 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.0 -27.35 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.83 -32.86 40.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 10.1 mt -73.86 -15.23 61.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.86 -116.23 5.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.29 -17.44 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.467 ' CE ' HD22 ' A' ' 81' ' ' LEU . 27.0 mmm -87.73 -9.83 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.99 122.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 59.4 p -83.46 24.27 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.468 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -124.45 157.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.93 -58.5 3.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.587 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 54.0 Cg_endo -69.73 -51.48 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.516 HG23 ' CG ' ' A' ' 16' ' ' TRP . 4.3 t -56.1 -19.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.3 tp -89.85 -55.05 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -43.72 -55.12 4.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.5 p -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.425 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 38.0 m-20 -49.64 -34.04 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -91.68 -65.22 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -50.96 -47.83 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.527 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 86.2 m-85 -106.85 88.25 3.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -46.34 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 1.4 p30 -85.75 10.55 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' ASN . 8.2 tp -38.25 -48.49 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' HG2' ' NH1' ' A' ' 51' ' ' ARG . 23.6 mtpp -46.84 -54.79 9.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.59 -59.53 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 13.6 mm-40 -45.01 -41.94 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.683 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 8.6 m-85 -134.39 93.6 18.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.315 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.2 114.03 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.503 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 34.9 t-105 -44.76 -63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.69 -27.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' TRP . 90.5 m -91.25 -40.86 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' NH1' ' HG2' ' A' ' 42' ' ' LYS . 28.2 ttp180 -68.32 -53.66 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.503 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.7 p -44.1 -47.28 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' N ' HG11 ' A' ' 52' ' ' VAL . 82.6 mttt -51.62 -40.82 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.683 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 13.0 mm100 -62.13 -62.12 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 54' ' ' GLN . 97.2 mt -36.37 -38.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.27 -53.97 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.545 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.6 ptpt -62.06 -50.63 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 24.3 mt -58.22 -25.24 61.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.587 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 70.5 t-105 -84.32 -42.83 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.451 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 64.4 mtt-85 -59.05 -49.21 78.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -49.85 -34.76 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.05 136.14 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.2 m -82.15 153.78 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -44.93 -49.86 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -55.03 -28.72 54.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.08 -37.58 33.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.501 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 37.7 mtt180 -79.36 -17.16 55.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.503 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -34.99 -58.49 0.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.73 . . . . 0.0 111.078 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.2 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.69 -16.33 26.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 92.4 t -86.39 -36.83 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -81.15 -45.8 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -50.44 -49.16 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.45 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -67.05 -52.22 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -55.71 -38.21 69.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -54.13 -35.94 62.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 95.3 mtt180 -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -52.47 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -37.12 -44.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD22 ' CE ' ' A' ' 25' ' ' MET . 18.4 mt -70.66 -46.01 64.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -47.65 -49.95 25.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.2 mp -60.13 -51.03 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.13 -41.97 76.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -70.92 139.99 50.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.6 m -74.75 126.93 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.18 168.06 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.5 mmt -142.22 158.73 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.6 t -130.06 137.88 50.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -170.66 124.29 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -50.62 130.05 23.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.6 46.43 3.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -129.78 110.65 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -98.23 149.64 22.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.45 -133.7 11.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -68.08 103.83 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.97 131.77 35.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -92.95 45.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 176.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.6 t -155.65 174.39 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.838 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.4 p -98.26 100.3 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.09 -32.04 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -77.87 -37.61 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.519 ' CG ' HG21 ' A' ' 31' ' ' VAL . 19.8 m0 -51.87 -61.17 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -40.01 -41.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -68.48 -47.51 66.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.431 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.7 OUTLIER -66.14 -22.91 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 8.4 mm-40 -61.09 -28.99 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.66 -33.15 53.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 12.9 mt -69.43 -17.2 63.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.414 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 55.31 -117.59 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.65 -16.31 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.409 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.8 mmm -88.83 -10.43 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.29 124.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.471 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 72.5 p -82.32 9.89 8.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.472 ' CB ' HG23 ' A' ' 31' ' ' VAL . 1.1 t -112.78 154.75 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' CZ2' ' A' ' 59' ' ' TRP . . . -69.99 -57.53 6.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.574 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.4 Cg_endo -69.79 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG21 ' CG ' ' A' ' 16' ' ' TRP . 3.7 t -58.86 -14.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 tp -94.2 -49.82 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -49.98 -54.09 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' ' N ' ' A' ' 38' ' ' PHE . 12.2 p -58.46 -45.25 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 44.2 m-20 -48.17 -42.44 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.59 -65.09 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 25.6 m-80 -50.29 -52.5 35.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.46 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 66.1 m-85 -107.18 84.34 1.66 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -38.69 7.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.42 13.8 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.436 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.67 -56.47 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -41.34 -42.26 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.72 -59.74 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 27.1 mt-10 -49.99 -41.18 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.681 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.4 m-85 -134.96 93.56 17.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -47.69 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.78 115.8 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' ARG . 61.2 t-105 -48.57 -60.44 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -42.32 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' TRP . 94.3 m -99.68 -28.63 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.501 ' CZ ' ' OE1' ' A' ' 20' ' ' GLU . 48.1 ttp180 -77.05 -50.24 13.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.6 p -44.39 -44.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -54.39 -38.17 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.681 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 19.4 mm100 -67.99 -59.42 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 54' ' ' GLN . 81.9 mt -36.3 -34.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -76.0 -50.83 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -58.94 -37.47 76.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 34.7 mt -76.31 -27.28 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.574 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 72.9 t-105 -78.85 -41.32 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -64.86 -51.51 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -51.99 -22.87 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 134.75 46.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 m -70.36 154.46 41.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.75 -10.99 31.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -90.01 -37.53 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.504 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 17.9 mtp180 -78.68 -19.81 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.496 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -32.79 -58.66 0.45 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 54.1 Cg_endo -69.8 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -60.53 -14.36 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 84.8 t -86.83 -38.82 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -82.9 -43.33 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -52.89 -47.37 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.425 ' HB1' ' C ' ' A' ' 28' ' ' VAL . . . -50.84 -44.48 59.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.19 -41.17 94.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.03 -36.36 83.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.41 -34.98 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 73.8 mtp180 -62.75 -35.48 79.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.452 ' O ' ' CD1' ' A' ' 83' ' ' ILE . . . -64.81 -50.47 66.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.14 -46.21 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.9 -50.99 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -41.18 -55.21 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 79' ' ' ALA . 4.8 mp -60.8 -43.35 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -92.59 94.23 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -60.28 98.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.8 m -118.36 168.19 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -71.62 97.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.9 ptm -145.41 159.94 42.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -136.79 129.77 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.1 m120 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -79.27 87.16 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -155.83 172.4 18.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 108.96 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -124.77 150.73 45.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 m -79.71 -52.79 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.03 109.32 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.41 113.81 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.55 159.6 16.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -82.04 160.14 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -70.93 87.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.802 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -111.4 167.02 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.0 p -93.27 -27.72 16.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -51.82 -17.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -96.81 -40.15 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.49 ' CG ' HG21 ' A' ' 31' ' ' VAL . 25.9 m0 -50.86 -51.31 52.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -48.33 -31.92 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -75.06 -50.48 16.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -62.2 -29.0 70.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.6 -27.41 39.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -38.43 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 11.1 mt -68.72 -14.92 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.02 -115.53 4.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.12 -16.99 36.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.443 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.2 mmm -89.19 -3.3 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.9 124.57 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -82.11 17.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -116.93 156.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB1' ' CZ2' ' A' ' 59' ' ' TRP . . . -72.1 -58.71 3.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 54.0 Cg_endo -69.78 -51.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 16' ' ' TRP . 3.5 t -56.59 -17.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.0 tp -90.91 -47.48 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.405 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 9.8 t80 -52.05 -56.8 12.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' PHE . 11.4 p -56.99 -47.35 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.466 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 74.6 m-20 -46.72 -35.26 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.4 mt -91.41 -64.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -54.02 -51.88 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.566 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 89.0 m-85 -109.12 84.4 2.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -43.67 2.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.17 13.53 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.8 tp -45.44 -49.6 13.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -47.92 -39.91 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.71 -60.89 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 18.3 mt-10 -45.43 -40.47 8.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 13.5 m-85 -134.63 93.81 17.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -67.61 110.64 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' THR . 48.3 t-105 -44.11 -62.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.52 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.8 m -97.44 -37.11 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' TRP . 2.8 ttp-105 -68.17 -51.27 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 14.8 p -43.97 -41.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 mttm -60.14 -38.13 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 27.5 mm100 -66.46 -30.7 71.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.3 mt -69.16 -36.81 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.62 -51.32 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.5 ptmm? -58.45 -49.56 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.566 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 31.8 mt -64.3 -29.25 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.577 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 63.9 t-105 -67.44 -56.86 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -54.29 -51.37 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -38.9 -42.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.25 120.33 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -56.88 155.33 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.42 -44.36 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -59.21 -25.23 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.78 -33.83 40.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 4.5 mtp-105 -78.97 -17.72 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.492 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -37.98 -58.63 1.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.492 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.8 -51.6 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.405 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 47.7 m-85 -59.42 -17.56 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 70.0 t -88.17 -35.76 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -81.44 -48.83 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -50.66 -50.98 53.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.81 -46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -64.46 -48.13 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.97 -37.47 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -56.49 -35.09 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -62.51 -41.16 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.65 93.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.42 -48.05 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.0 mt -59.25 -38.27 79.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -22.27 66.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.6 mm -66.36 -63.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -86.49 169.57 12.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.98 113.01 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.4 m -114.02 156.99 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -79.93 81.62 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 88' ' ' MET . 9.8 tmm? -131.04 107.81 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -65.0 117.77 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -77.21 168.16 20.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -143.75 176.26 9.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.8 -171.02 23.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -154.42 174.79 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -96.71 174.92 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 153.65 25.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -120.85 164.95 15.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.6 90.38 7.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -153.89 159.9 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -85.87 99.52 11.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.5 p -172.3 177.89 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -55.71 -35.89 66.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -54.77 -23.32 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -85.14 -41.82 15.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' CG ' HG23 ' A' ' 31' ' ' VAL . 37.5 m0 -51.72 -37.48 51.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.81 -28.58 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -82.21 -60.01 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.495 ' OE1' ' CG2' ' A' ' 27' ' ' THR . 3.5 mm-40 -52.64 -32.27 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -55.55 -37.74 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.75 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 19.2 mt -76.66 -12.31 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.88 -119.23 8.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.99 -16.48 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.413 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 32.9 mmm -93.99 12.92 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.09 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.495 ' CG2' ' OE1' ' A' ' 19' ' ' GLU . 73.2 p -78.69 10.91 2.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.413 ' C ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -118.77 157.35 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.0 -58.33 4.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.582 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.5 Cg_endo -69.67 -50.63 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG23 ' CG ' ' A' ' 16' ' ' TRP . 5.8 t -56.69 -16.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.3 tp -94.35 -53.6 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -44.24 -51.53 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' PHE . 23.0 p -61.91 -50.49 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 76.1 m-20 -42.94 -36.49 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.5 mt -92.68 -62.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.66 -53.38 47.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.484 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 94.5 m-85 -106.95 86.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -83.24 11.17 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.435 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.53 -53.75 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -44.34 -39.46 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.55 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 1.9 mp0 -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 3.4 m-85 -134.93 94.13 16.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -44.38 2.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.87 112.55 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.462 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 34.8 t-105 -43.03 -62.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -41.01 -28.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.1 m -91.62 -42.17 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 13.6 ttp-105 -65.53 -53.98 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.462 ' HB ' ' CZ2' ' A' ' 48' ' ' TRP . 12.5 p -43.9 -48.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 52.5 mttm -53.86 -37.32 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.557 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 26.4 mm100 -66.44 -62.04 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 54' ' ' GLN . 80.3 mt -36.23 -33.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -68.71 -62.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.494 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.33 -38.15 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 39.4 mt -70.06 -29.42 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.582 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 55.5 t-105 -77.25 -35.86 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -62.69 -54.98 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -42.62 -47.16 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.11 113.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.416 ' HB3' ' CD ' ' A' ' 65' ' ' GLN . 43.4 m -53.28 150.91 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -50.52 -44.34 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.416 ' CD ' ' HB3' ' A' ' 63' ' ' SER . 18.9 pm0 -65.12 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.78 -35.56 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.551 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 7.7 mtp180 -79.34 -17.48 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -34.06 -58.5 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.617 0.723 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.77 -51.45 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -59.31 -16.47 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 96.3 t -83.88 -42.85 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -78.52 -43.43 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -49.19 -49.7 41.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB3' ' C ' ' A' ' 28' ' ' VAL . . . -51.32 -44.68 62.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.63 -45.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.36 -31.8 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 78' ' ' ARG . 10.8 mtp-105 -64.25 -34.91 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.415 ' O ' ' CD1' ' A' ' 83' ' ' ILE . . . -67.85 -50.11 58.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.18 -42.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.403 HD21 ' CE ' ' A' ' 25' ' ' MET . 29.7 mt -65.2 -53.62 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -40.77 -61.84 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.415 ' CD1' ' O ' ' A' ' 79' ' ' ALA . 5.4 mp -45.23 -64.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' LYS . 70.2 m-80 -43.56 110.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 84' ' ' ASN . 17.3 pttp -34.94 150.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 p -171.49 143.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -87.61 44.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.4 ttt -91.92 139.08 31.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.2 t -126.21 161.04 28.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -91.87 125.09 36.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -166.25 122.88 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.19 62.91 2.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 p -45.65 116.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -89.18 52.57 2.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.7 -52.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.46 105.84 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 115.65 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -109.18 163.74 13.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -43.3 117.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 t -162.39 -175.43 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.9 p -53.1 -37.3 61.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 mt -50.94 -22.31 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -85.33 -51.13 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 34.8 m0 -40.65 -39.28 1.04 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.978 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -51.33 -44.07 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -59.57 -46.19 89.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 4.0 mm-40 -70.48 -31.55 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mt-10 -57.32 -30.06 64.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.3 56.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 9.5 mt -79.05 -12.49 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 52.53 -117.47 6.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.98 -13.71 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.436 ' CE ' HD23 ' A' ' 81' ' ' LEU . 30.0 mmm -96.29 8.15 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . . . -52.02 125.71 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 81' ' ' LEU . 47.0 p -83.31 17.59 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.465 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.6 OUTLIER -126.4 154.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.48 -56.8 6.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.586 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.6 Cg_endo -69.75 -46.89 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.394 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 9.4 t -61.23 -22.5 27.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.1 tp -86.74 -53.44 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -43.59 -52.02 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 35.4 p -62.28 -44.73 95.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 26' ' ' ALA . 69.2 m-20 -49.07 -39.92 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -88.47 -65.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -49.24 -53.07 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.495 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 78.7 m-85 -106.34 87.27 2.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -42.55 3.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.348 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.39 12.54 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.6 tp -40.55 -55.83 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 15.2 ptpt -42.23 -42.64 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 4.9 mm-40 -61.55 -61.91 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 12.2 mm-40 -45.53 -42.29 10.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.664 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 11.4 m-85 -134.79 93.92 17.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.65 -46.43 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.62 110.0 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . 39.7 t-105 -44.46 -62.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.82 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' TRP . 98.7 m -98.23 -33.57 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' TRP . 27.1 ttp180 -71.53 -51.07 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 53' ' ' LYS . 13.6 p -40.23 -50.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.439 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 40.6 mttt -51.26 -37.41 47.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.664 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 mm100 -65.45 -35.39 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.461 HG21 ' CZ3' ' A' ' 16' ' ' TRP . 77.7 mt -62.77 -36.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.88 -59.4 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 11.7 ptmt -49.57 -48.77 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.495 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 30.6 mt -62.45 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.586 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 76.2 t-105 -58.75 -43.77 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 31.2 mtp180 -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -55.97 -40.25 72.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -61.68 137.69 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 t -78.62 161.25 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -52.64 -53.54 45.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -52.46 -20.3 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -86.72 -38.21 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.502 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 47.9 mtt180 -78.28 -21.31 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.57 -58.93 0.51 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.74 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -60.05 -15.45 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 96.0 t -84.95 -38.64 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -83.62 -45.87 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -49.43 -43.49 44.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.03 -44.58 78.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -65.91 -49.77 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -57.19 -38.32 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 28.5 mtm105 -62.15 -33.2 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.51 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.25 -41.98 63.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.436 HD23 ' CE ' ' A' ' 25' ' ' MET . 55.0 mt -50.89 -58.3 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.41 -30.04 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.4 mm -63.57 -51.9 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -95.94 104.85 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -74.21 107.54 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.5 m -103.44 38.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -165.03 151.7 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.3 mmt -78.18 53.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 p -157.39 130.2 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -125.53 92.27 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.365 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -131.37 148.09 52.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 -164.3 30.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -110.62 -48.06 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -156.02 111.43 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.47 -40.94 2.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.6 164.01 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.319 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.78 127.46 48.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -52.96 167.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 2.2 ppt_? -88.86 29.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -62.87 121.79 14.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' LYS . 41.0 p -95.31 -41.06 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.8 mp -39.64 -27.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -84.73 -55.42 4.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.509 ' CG ' HG22 ' A' ' 31' ' ' VAL . 32.0 m0 -39.19 -52.88 1.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -45.88 -39.25 8.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -69.57 -58.54 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HA ' ' CD1' ' A' ' 22' ' ' LEU . 1.2 mm-40 -54.04 -29.0 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -59.37 -22.85 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.04 -28.08 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 19' ' ' GLU . 6.4 mt -75.09 -15.64 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.71 -116.74 8.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.51 -9.59 9.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.456 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.7 mmm -95.5 -7.17 38.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -38.02 126.0 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 57.0 p -84.87 15.25 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.439 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -120.62 160.21 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -72.57 -59.11 2.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.68 . . . . 0.0 111.082 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.2 Cg_endo -69.77 -51.27 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.509 HG22 ' CG ' ' A' ' 16' ' ' TRP . 10.8 t -55.05 -21.29 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 20.2 tp -87.81 -49.4 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -48.01 -58.94 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 2.4 p -53.37 -52.25 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.429 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 54.4 m-20 -42.34 -37.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.95 -64.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -53.04 -54.67 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' THR . 93.0 m-85 -106.66 86.69 2.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.87 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -84.56 12.32 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.446 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 5.9 tp -44.5 -45.05 9.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.05 -35.31 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 30.4 mm-40 -71.99 -54.79 8.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 19.2 mt-10 -52.84 -38.24 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.67 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.1 m-85 -134.86 93.92 17.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 110.08 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' THR . 47.7 t-105 -44.01 -62.25 1.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -42.55 -23.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' TRP . 72.7 m -95.79 -36.6 11.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.446 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 24.1 ttp180 -69.8 -55.29 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.411 ' CG1' ' N ' ' A' ' 53' ' ' LYS . 14.3 p -40.4 -47.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' N ' ' CG1' ' A' ' 52' ' ' VAL . 29.6 mttm -51.74 -41.33 61.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.67 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 20.4 mm100 -62.0 -59.32 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.4 mt -38.51 -35.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -58.13 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 10.7 pttp -55.79 -50.61 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.547 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.6 mt -59.01 -36.05 74.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CZ2' ' HB3' ' A' ' 29' ' ' ALA . 71.3 t-105 -65.81 -54.27 29.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -56.94 -43.29 81.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -48.68 -42.63 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.68 123.46 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 m -57.7 151.57 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -47.41 -45.12 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.66 -27.12 62.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.63 -36.77 57.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.522 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 7.1 mtp180 -78.78 -20.44 49.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.62 -58.28 0.55 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.71 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -60.11 -15.31 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 92.4 t -85.61 -37.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -83.33 -41.92 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -52.69 -49.31 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.71 -49.04 29.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 -61.09 -46.94 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.51 -36.55 80.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -57.7 -31.87 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 53.6 mtp180 -68.16 -35.33 77.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' O ' ' CD1' ' A' ' 83' ' ' ILE . . . -67.41 -49.84 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.473 ' O ' ' ND2' ' A' ' 84' ' ' ASN . . . -40.81 -31.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.9 mt -76.91 -51.4 11.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.432 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 17.6 ttm105 -50.74 -37.05 39.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.409 ' CD1' ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -80.44 -39.93 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 80' ' ' ALA . 6.8 m-20 -104.33 94.52 5.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.27 127.4 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.5 t -72.43 108.99 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -139.95 153.82 47.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.8 tpp -104.49 138.27 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.2 m -144.49 128.81 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -94.13 120.97 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -102.15 169.57 8.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.46 97.42 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -79.11 130.45 35.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.831 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.8 p -170.6 166.04 8.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.72 -97.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m120 43.42 42.12 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.78 98.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -151.22 121.59 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -85.37 94.37 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -124.44 172.45 9.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 p -96.72 -19.3 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.97 -51.52 67.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -62.64 -37.8 87.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.516 ' CG ' HG23 ' A' ' 31' ' ' VAL . 20.0 m0 -52.5 -63.06 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.6 tm-20 -37.2 -42.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -66.11 -47.6 73.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' HG3' ' CG2' ' A' ' 28' ' ' VAL . 0.5 OUTLIER -66.71 -27.43 67.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -58.12 -21.77 48.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.63 21.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 9.6 mt -68.85 -19.0 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.423 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 57.77 -119.54 17.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.08 -14.74 7.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.7 mmm -87.76 -17.22 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -34.07 118.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 66.1 p -78.09 5.76 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.467 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 1.3 t -105.24 160.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -74.1 -59.53 1.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.3 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.289 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.516 HG23 ' CG ' ' A' ' 16' ' ' TRP . 6.2 t -54.97 -19.77 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 15.9 tp -91.21 -48.48 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.455 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t80 -49.96 -56.0 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.6 p -58.88 -42.96 90.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 46.4 m-20 -48.93 -36.69 17.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -88.97 -65.21 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 35.3 m-80 -50.59 -50.5 53.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 32.9 m-85 -106.64 86.65 2.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -37.45 9.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.76 2.307 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -93.24 15.73 14.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -45.07 -50.43 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -47.97 -56.24 8.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.21 -58.34 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -46.07 -40.93 11.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 39.2 m-85 -134.77 94.29 16.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.7 0.762 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -46.32 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.77 111.07 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.526 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 31.6 t-105 -42.49 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.53 -29.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -90.91 -39.55 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -68.74 -54.77 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.526 ' HB ' ' CZ2' ' A' ' 48' ' ' TRP . 8.9 p -42.28 -45.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -55.16 -43.55 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm100 -60.3 -32.71 71.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.38 -37.27 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -53.98 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 8.4 ptmt -56.91 -49.08 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.559 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 27.3 mt -65.25 -22.86 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 29' ' ' ALA . 73.2 t-105 -81.4 -46.55 14.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.48 -46.9 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -25.99 30.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.66 132.11 44.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -63.32 148.76 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 m -50.44 -44.74 55.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -61.59 -19.48 62.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -80.65 -37.15 31.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 20.0 mtp180 -78.17 -22.0 49.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.498 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -32.74 -58.66 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.04 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.406 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 57.0 m-85 -60.66 -15.06 24.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 85.3 t -85.4 -37.42 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -85.02 -44.84 12.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -52.62 -44.06 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -47.41 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -63.5 -48.32 78.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.12 -39.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -52.26 -37.55 55.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.402 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 45.4 mtt85 -60.05 -45.04 94.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -55.43 -52.14 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -34.9 -51.79 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.01 -56.17 25.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -46.04 -51.8 13.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.417 ' CD1' ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -68.93 -65.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.81 87.17 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -85.57 166.42 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.78 136.96 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -47.82 137.16 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.38 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.6 t 57.8 42.24 23.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.2 m -159.38 155.29 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 4.9 m -37.01 -62.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.68 -98.58 0.72 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -163.98 170.39 16.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -87.98 159.44 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.7 97.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -62.42 -62.04 2.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.905 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ASN . . . -34.17 -61.21 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.95 125.97 26.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.82 157.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.462 ' HB3' ' CD1' ' A' ' 14' ' ' LEU . 1.9 t -158.3 -176.66 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.4 p -98.47 81.19 2.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 12' ' ' SER . 1.2 mp -115.73 -53.69 2.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.94 -38.91 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.477 ' CG ' HG22 ' A' ' 31' ' ' VAL . 18.6 m0 -59.59 -60.25 4.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -39.92 -35.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -77.51 -57.69 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.488 ' OE2' ' CG2' ' A' ' 27' ' ' THR . 1.1 mm-40 -56.94 -20.46 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.458 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mm-40 -66.12 -21.15 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.52 -24.81 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.5 mt -78.08 -11.8 59.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.451 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.72 -116.01 5.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.6 -13.59 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.6 mmm -95.15 11.92 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.06 127.01 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.488 ' CG2' ' OE2' ' A' ' 19' ' ' GLU . 56.9 p -83.87 21.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.405 ' O ' ' CB ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -128.65 156.13 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.59 -57.71 5.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 54.1 Cg_endo -69.7 -47.58 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 16' ' ' TRP . 5.3 t -61.64 -16.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 30.1 tp -92.43 -47.14 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.92 -56.64 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 2.6 p -57.16 -51.53 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.451 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 55.4 m-20 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.37 -64.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -52.45 -51.78 57.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 38.9 m-85 -106.79 86.11 2.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.63 10.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -89.72 13.08 15.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 42' ' ' LYS . 11.8 tp -43.71 -58.23 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.0 OUTLIER -37.02 -58.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.49 -61.68 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -40.97 -41.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.677 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 14.8 m-85 -134.98 94.05 16.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.27 118.03 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.458 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 39.6 t-105 -50.09 -62.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.31 -23.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.7 m -94.15 -43.2 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -64.23 -53.26 51.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.4 p -43.79 -40.91 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -61.66 -44.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.677 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 24.5 mm100 -57.44 -42.56 82.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.2 mt -56.04 -37.1 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.94 -59.9 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.7 ptmt -52.8 -48.32 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 19.4 mt -65.82 -26.47 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 67.7 t-105 -78.91 -39.54 34.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -64.43 -54.18 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 6.1 ptmt -48.52 -33.64 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.415 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -61.81 126.77 28.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -64.08 149.36 47.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -47.72 -46.95 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -55.23 -28.34 52.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 6.8 tp10 -76.71 -35.22 57.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 4.4 mtp-105 -77.7 -23.96 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.66 -58.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.54 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 66' ' ' GLU . 44.8 m-85 -59.69 -15.83 22.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.4 t -85.48 -37.0 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -84.34 -46.42 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -49.73 -44.68 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.19 -47.49 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -61.97 -46.61 88.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.67 -37.12 86.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -58.93 -29.74 67.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -68.57 -33.63 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.06 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.57 -43.25 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.3 mt -69.18 -42.76 75.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -57.34 -41.03 79.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.67 -51.45 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -52.18 -48.53 64.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -45.66 134.04 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 75.7 t -124.54 -23.85 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.1 143.54 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.23 87.27 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.1 m -104.71 41.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.431 -0.267 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.79 133.33 44.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 m -134.02 151.76 51.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.48 138.2 44.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 p -99.28 167.56 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -140.81 158.98 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.59 -62.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -129.53 144.81 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.31 116.68 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -168.11 128.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 55.31 38.37 30.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -129.44 112.35 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.0 p -71.62 -22.83 61.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -62.25 -13.27 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -111.97 30.11 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.453 ' CZ3' HG22 ' A' ' 55' ' ' ILE . 15.8 m0 -119.01 -53.86 2.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.65 -42.72 25.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -66.36 -56.01 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.47 ' OE2' ' CG2' ' A' ' 27' ' ' THR . 0.5 OUTLIER -55.0 -34.55 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -52.15 -35.62 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.47 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.458 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 14.2 mt -70.0 -17.79 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 58.34 -118.96 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -60.12 -13.04 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.0 mmm -90.0 -9.46 48.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . . . -36.52 127.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.47 ' CG2' ' OE2' ' A' ' 19' ' ' GLU . 43.2 p -85.95 15.4 5.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.416 ' CG2' ' HG3' ' A' ' 19' ' ' GLU . 0.8 OUTLIER -122.55 158.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 59' ' ' TRP . . . -71.07 -57.12 5.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.7 Cg_endo -69.74 -44.07 2.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.416 HG13 ' CB ' ' A' ' 19' ' ' GLU . 16.7 t -61.92 -22.42 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 14.9 tp -88.28 -50.81 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -45.44 -56.12 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -60.61 -43.37 97.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' ND2' ' HB3' ' A' ' 26' ' ' ALA . 49.9 m-20 -49.82 -33.6 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.3 mt -92.35 -62.53 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -53.78 -50.43 66.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.568 ' CZ ' HD23 ' A' ' 58' ' ' LEU . 52.2 m-85 -109.29 87.1 4.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.83 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.75 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -83.51 14.06 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -43.88 -57.25 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.05 -60.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.57 -58.68 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm-40 -44.05 -40.3 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.692 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 5.4 m-85 -134.62 93.88 17.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.31 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.27 . . . . 0.0 112.314 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.16 115.24 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -49.61 -61.99 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.48 -24.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.3 m -94.61 -35.32 12.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.22 -53.42 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 53' ' ' LYS . 13.5 p -46.58 -28.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' N ' HG12 ' A' ' 52' ' ' VAL . 29.6 mttm -68.36 -35.81 78.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.692 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 8.1 mm100 -68.74 -58.33 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.453 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 77.1 mt -40.72 -34.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.93 -55.72 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 19.8 pttt -59.81 -47.61 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.568 HD23 ' CZ ' ' A' ' 38' ' ' PHE . 74.7 mt -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.571 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 71.0 t-105 -77.27 -45.66 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.418 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 29.3 mtp180 -55.26 -53.72 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.8 ptmt -46.01 -31.84 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.84 138.41 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -87.74 155.14 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -43.49 -56.45 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -27.86 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -81.78 -38.25 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.48 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 29.1 mtt180 -78.89 -19.6 51.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.508 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -33.18 -58.48 0.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.508 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.76 -51.24 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -59.96 -15.29 20.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 91.7 t -86.24 -42.93 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.94 -48.69 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -47.35 -52.06 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.47 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 -63.92 -48.23 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.97 -39.03 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -54.49 -34.73 62.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.462 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 37.9 mtp180 -66.54 -42.21 87.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -49.3 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.35 -32.49 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.8 mt -72.53 -55.32 7.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -49.98 -44.58 50.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.406 ' O ' ' CG ' ' A' ' 84' ' ' ASN . 4.4 mp -71.62 -54.54 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 83' ' ' ILE . 14.1 p30 45.44 51.08 9.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -154.19 110.25 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.6 t -59.47 126.33 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -118.8 39.88 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.7 mmt -80.39 138.88 36.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.5 t -56.19 -60.16 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -145.37 119.4 9.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -56.55 154.75 8.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.76 -169.19 13.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -141.19 122.09 14.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -52.26 -53.37 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.73 115.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -158.33 136.78 10.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 90.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -174.18 112.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -41.79 139.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -149.88 125.32 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 16' ' ' TRP . 73.2 p -58.23 -42.58 86.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mp -39.59 -36.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -81.36 -33.66 32.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' THR . 10.5 m0 -57.67 -63.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 48' ' ' TRP . 5.0 pt-20 -42.79 -36.98 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -60.81 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.65 -36.73 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.472 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 18.5 mm-40 -46.42 -39.73 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -34.6 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 13.2 mt -69.22 -16.46 63.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 56.32 -117.71 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.22 -14.12 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.451 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.0 mmm -90.59 -7.16 53.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB3' ' ND2' ' A' ' 35' ' ' ASN . . . -39.41 122.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.442 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 69.2 p -84.29 19.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 t -124.82 156.03 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.07 -57.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.58 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 52.9 Cg_endo -69.81 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.296 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 ' CG1' ' HG2' ' A' ' 20' ' ' GLU . 5.0 t -58.27 -15.02 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.0 tp -93.9 -55.2 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -42.21 -51.17 4.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.3 p -63.48 -47.64 80.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' A' ' 26' ' ' ALA . 43.5 m-20 -44.97 -41.94 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -87.34 -65.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -47.94 -52.82 18.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -106.32 88.07 3.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.81 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -90.21 12.58 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 42' ' ' LYS . 7.1 tp -38.73 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -34.9 -43.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -57.63 -59.77 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.434 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.3 mm-40 -49.67 -42.37 45.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.608 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 5.9 m-85 -134.97 93.58 17.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -47.58 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.33 111.26 6.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.3 t-105 -44.43 -62.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -40.56 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 86.2 m -97.86 -34.85 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 54' ' ' GLN . 23.8 ttp180 -70.93 -52.45 19.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 53' ' ' LYS . 11.4 p -40.68 -45.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 52' ' ' VAL . 31.1 mttm -53.32 -39.03 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.608 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 25.3 mm100 -66.57 -52.23 47.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -46.25 -31.73 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.97 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -53.53 -49.44 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 50.7 mt -58.38 -33.43 69.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.58 ' CE3' ' HA ' ' A' ' 30' ' ' PRO . 62.5 t-105 -73.83 -36.17 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.41 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 9.7 mmm180 -62.19 -51.2 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -41.38 -47.81 3.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' NE ' ' A' ' 67' ' ' ARG . . . -61.17 129.57 41.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.072 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -78.63 158.57 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.99 -52.7 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.85 -30.41 45.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.58 -36.46 44.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 41.0 mtt180 -79.79 -16.91 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -35.41 -57.94 0.85 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.51 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -59.48 -17.11 28.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 98.8 t -85.82 -40.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -76.77 -48.26 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -49.75 -45.21 49.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.07 -47.28 68.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -63.99 -50.38 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.31 -39.58 76.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.79 -38.96 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.442 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 60.8 mtt180 -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -49.1 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.87 -53.09 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.7 mt -48.57 -55.22 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -47.66 -60.82 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 5.4 mp -55.02 -62.43 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -57.77 130.61 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' NZ ' ' HA ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER 56.03 47.64 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.5 p -75.04 141.23 16.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 87' ' ' GLN . 5.0 pp0? -84.04 135.91 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.5 ttt -107.58 -61.8 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.5 p -40.02 114.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -100.79 157.37 16.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -99.52 -46.19 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.36 92.19 1.03 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 59.8 p -96.87 110.17 22.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 90.3 p -37.28 136.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -142.75 94.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' GLY . 19.4 t-20 -36.65 139.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.42 -61.8 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -68.96 -179.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -103.99 147.91 26.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -164.98 174.63 10.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.5 p -94.91 71.15 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.1 mt -127.0 -57.35 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -59.26 -40.33 85.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' CG ' HG23 ' A' ' 31' ' ' VAL . 22.6 m0 -43.48 -50.69 6.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -52.2 -38.51 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -73.69 -52.79 12.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.502 ' N ' ' OE1' ' A' ' 19' ' ' GLU . 0.4 OUTLIER -59.25 -29.32 67.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -58.16 -26.32 62.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -32.78 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 36.9 mt -70.44 -15.32 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.76 -120.74 23.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -59.53 -17.22 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.416 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.5 mmm -85.19 -8.52 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.44 130.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.9 p -88.36 8.06 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -115.76 157.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.578 ' HB3' ' CZ2' ' A' ' 59' ' ' TRP . . . -70.83 -56.64 5.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.564 ' HA ' ' CE3' ' A' ' 59' ' ' TRP . 53.3 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 HG22 ' CG2' ' A' ' 28' ' ' VAL . 19.4 t -64.77 -20.7 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 24.4 tp -88.39 -49.24 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -49.79 -58.82 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' PHE . 5.9 p -53.25 -53.83 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -40.47 -37.99 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -88.94 -62.83 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.56 -56.38 15.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.558 ' CZ ' HD21 ' A' ' 58' ' ' LEU . 62.9 m-85 -106.73 86.83 2.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -42.31 3.42 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -88.37 17.19 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.456 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 5.4 tp -43.65 -59.5 2.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 pttp -36.83 -40.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.2 -63.94 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.5 mm-40 -43.03 -44.78 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.9 m-85 -134.81 93.55 17.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -48.49 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.09 113.79 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' THR . 45.0 t-105 -43.56 -65.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.52 -24.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.0 m -93.88 -36.88 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' HD2' ' CD2' ' A' ' 41' ' ' LEU . 19.6 ttp180 -70.92 -52.12 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -44.03 -46.57 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' N ' HG12 ' A' ' 52' ' ' VAL . 45.2 mttm -52.84 -33.93 51.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 30.9 mm100 -69.01 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLN . 68.6 mt -36.47 -32.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -72.5 -49.78 30.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.36 -38.5 87.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.558 HD21 ' CZ ' ' A' ' 38' ' ' PHE . 35.6 mt -73.15 -33.52 65.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.578 ' CZ2' ' HB3' ' A' ' 29' ' ' ALA . 68.8 t-105 -69.08 -51.72 35.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -57.73 -50.28 73.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.12 -44.56 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 123.06 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 m -60.01 159.65 9.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 m -51.84 -48.67 63.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -56.16 -18.24 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.49 -39.59 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' O ' ' CG2' ' A' ' 71' ' ' VAL . 15.1 mtp180 -78.5 -20.4 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.501 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -32.83 -58.72 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.529 0.68 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -60.23 -14.53 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 88.1 t -86.56 -37.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -43.37 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -52.56 -48.74 65.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.0 -52.65 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -57.87 -47.73 81.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.4 -40.38 78.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -55.34 -35.2 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -62.28 -38.83 90.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.426 ' O ' ' CD1' ' A' ' 83' ' ' ILE . . . -61.7 -49.57 75.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.0 -45.31 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.41 -53.17 60.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -43.98 -61.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 79' ' ' ALA . 5.4 mp -54.93 -50.59 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -93.14 80.3 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -145.7 141.09 27.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.2 t -93.26 107.7 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -57.52 123.67 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -112.16 130.05 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.7 p -92.34 175.01 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.4 m0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.705 0.288 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.65 -37.04 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.95 -56.85 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -55.84 -24.63 37.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 7.9 mm-40 -60.42 -31.63 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.25 -30.51 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 19' ' ' GLU . 8.5 mt -75.0 -13.77 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.27 -115.91 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.9 -16.05 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.431 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 33.5 mmm -90.69 2.1 56.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.32 124.44 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 29.7 p -81.9 17.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -122.05 156.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.775 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.82 -57.76 4.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.798 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.79 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 19' ' ' GLU . 9.2 t -56.69 -17.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.1 tp -92.25 -53.31 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -44.25 -54.11 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.589 HG21 ' HA ' ' A' ' 55' ' ' ILE . 11.2 p -59.84 -45.58 91.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 4.6 m120 -49.61 -33.95 16.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.4 mt -92.58 -65.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.94 -48.08 60.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -112.76 84.52 6.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.13 8.21 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.37 9.62 22.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.506 HD23 ' HD2' ' A' ' 51' ' ' ARG . 8.2 tp -37.79 -62.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LEU . 19.1 ptmt -36.92 -46.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.09 -58.1 9.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 14.5 mm-40 -52.38 -40.14 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 10.6 m-85 -134.75 93.73 17.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.743 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.0 Cg_endo -69.72 -43.85 2.45 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.12 113.71 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.444 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 40.1 t-105 -45.57 -59.78 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.5 -26.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -97.11 -36.47 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.506 ' HD2' HD23 ' A' ' 41' ' ' LEU . 37.8 ttp180 -68.19 -51.99 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 53' ' ' LYS . 10.9 p -45.1 -43.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 52' ' ' VAL . 33.8 mttm -59.28 -37.88 78.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.549 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 96.4 mm-40 -65.38 -31.59 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.589 ' HA ' HG21 ' A' ' 34' ' ' THR . 95.3 mt -66.96 -35.94 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -57.76 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.1 ptmt -50.64 -48.93 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.9 mt -63.28 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.775 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 75.7 t-105 -63.99 -48.85 74.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 50.1 mtp180 -61.76 -37.19 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -55.67 -43.33 76.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -64.13 151.67 42.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -89.88 155.05 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.33 -47.91 25.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.8 -25.27 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -82.67 -38.13 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.897 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.7 mtt180 -79.25 -16.08 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.6 -58.79 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -59.31 -16.34 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 67' ' ' ARG . 75.6 t -84.24 -39.21 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -80.81 -47.18 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -48.01 -48.19 32.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.54 -43.41 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.052 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -68.67 -45.8 70.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -64.54 -30.78 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -61.42 -30.42 70.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 85.3 mtm180 -67.99 -32.3 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -49.45 38.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD2' HG22 ' A' ' 31' ' ' VAL . 25.4 m0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.728 0.299 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.89 -27.61 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.76 -53.91 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.54 -22.45 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.48 -32.94 72.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.81 63.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 19' ' ' GLU . 15.0 mt -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.438 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.21 -115.99 5.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.39 -14.49 19.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 31.9 mmm -93.32 1.5 56.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -49.1 125.14 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 49.5 p -80.79 6.55 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.753 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -108.44 159.24 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.83 -59.67 2.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 0.0 111.067 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 29' ' ' ALA . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.306 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 16' ' ' TRP . 4.2 t -55.65 -19.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.7 tp -90.65 -49.25 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -47.93 -56.62 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -58.05 -49.96 75.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 78.2 m-20 -42.66 -34.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.4 mt -92.58 -63.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -52.54 -53.62 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 49.3 m-85 -107.77 85.12 2.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -40.09 5.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 41' ' ' LEU . 71.4 m-20 -85.09 8.17 18.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -37.25 -53.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -43.33 -51.8 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.81 -59.77 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.8 mt-10 -48.87 -41.29 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 1.9 m-85 -134.91 93.56 17.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.79 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 120.28 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 37.8 t-105 -52.68 -59.33 4.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.4 -23.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 m -99.58 -32.21 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD2' HD23 ' A' ' 41' ' ' LEU . 39.9 ttp180 -73.37 -51.03 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.4 p -47.56 -44.1 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' HG13 ' A' ' 52' ' ' VAL . 85.1 mttt -55.15 -40.17 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 66.7 mm-40 -62.87 -59.01 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.9 mt -38.85 -35.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.33 -56.34 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 26.3 pttt -58.48 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.528 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 20.9 mt -58.38 -33.62 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.673 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.8 t-105 -72.69 -53.34 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.425 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 62.1 mtt85 -58.92 -37.08 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -54.67 -39.82 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.45 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -68.78 146.99 52.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.1 m -84.64 156.23 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.57 -49.24 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.24 -23.63 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.91 -35.94 23.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 71' ' ' VAL . 46.8 mtt180 -80.87 -12.55 59.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -40.62 -57.53 3.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.2 Cg_endo -69.79 -48.76 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -61.96 -18.49 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 67' ' ' ARG . 69.2 t -84.99 -39.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -80.0 -48.78 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -49.3 -48.95 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.45 -35.88 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -73.33 -42.62 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -67.81 -34.63 77.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -55.62 -35.19 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 89.2 mtt180 -63.19 -34.84 78.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.72 -50.61 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.136 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.2 m0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -50.27 -35.99 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -74.1 -55.19 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.02 -33.87 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' OE1' ' NE ' ' A' ' 51' ' ' ARG . 6.1 mm-40 -51.61 -28.46 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.84 55.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.3 mt -69.6 -15.82 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.23 -118.47 11.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.28 -17.55 29.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.431 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.3 mmm -86.45 -10.29 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -36.1 123.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.7 p -82.49 17.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -121.88 158.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.808 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.61 -58.71 3.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.796 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.8 Cg_endo -69.78 -50.98 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 19' ' ' GLU . 6.9 t -57.01 -16.01 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 26.0 tp -94.26 -49.97 5.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -46.85 -54.51 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.556 HG21 HG12 ' A' ' 55' ' ' ILE . 3.3 p -58.3 -55.16 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 68.7 m-20 -40.53 -35.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.46 -64.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 6.6 m120 -49.81 -54.6 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -106.04 89.07 3.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.8 Cg_endo -69.78 -36.89 9.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.05 14.89 16.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.666 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.3 tp -42.15 -48.49 4.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.42 -44.27 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.63 -58.76 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.49 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 4.3 mp0 -50.3 -41.24 50.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.538 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 4.8 m-85 -134.96 93.81 16.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.677 0.751 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.73 -41.57 4.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.39 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.55 115.01 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 49.5 t-105 -46.83 -58.26 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -40.76 -30.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -94.16 -34.45 12.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HD2' HD23 ' A' ' 41' ' ' LEU . 35.4 ttp180 -68.14 -53.19 26.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.0 p -46.79 -43.15 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' N ' HG13 ' A' ' 52' ' ' VAL . 36.0 mttm -55.63 -35.93 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.538 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 79.5 mm-40 -67.56 -61.8 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.556 HG12 HG21 ' A' ' 34' ' ' THR . 61.5 mt -37.5 -34.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -62.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.548 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 5.3 ptpt -53.23 -50.7 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.548 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 27.8 mt -54.76 -47.0 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.808 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.4 t-105 -63.01 -42.63 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 59.3 mtt-85 -62.86 -39.66 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -56.59 -43.33 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.11 53.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -88.05 153.93 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -43.35 -54.18 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -50.06 -30.12 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -78.73 -37.11 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.2 mtt180 -79.69 -13.66 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.742 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.65 -58.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -59.17 -17.59 28.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 67' ' ' ARG . 74.9 t -85.22 -37.19 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -79.84 -49.59 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -48.39 -47.9 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.28 -38.87 55.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -70.63 -46.72 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.89 -35.2 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.17 -35.56 71.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -62.63 -36.32 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.41 -51.11 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CD2' HG22 ' A' ' 31' ' ' VAL . 16.4 m0 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.728 0.299 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.85 -26.16 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -86.99 -48.96 7.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' HG11 ' A' ' 31' ' ' VAL . 2.9 mm-40 -64.47 -23.81 67.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG2' HG13 ' A' ' 31' ' ' VAL . 11.3 mm-40 -63.07 -22.93 67.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.42 -30.65 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 17.3 mt -71.37 -15.88 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 54.12 -114.47 4.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.0 -11.15 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.6 mmm -95.32 -11.71 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -35.43 125.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.441 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 60.5 p -81.82 17.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.775 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -123.92 157.9 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.75 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -71.91 -58.46 3.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.775 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 20' ' ' GLU . 6.5 t -56.68 -16.03 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.94 HD21 ' HE2' ' A' ' 73' ' ' LYS . 15.0 tp -92.53 -48.93 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -49.88 -57.17 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.605 HG21 ' HA ' ' A' ' 55' ' ' ILE . 14.0 p -56.13 -48.93 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.457 HD21 ' HA ' ' A' ' 35' ' ' ASN . 3.1 m120 -44.18 -34.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.64 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.78 -54.0 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' THR . 46.1 m-85 -106.58 86.85 2.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.69 14.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 50.7 m-80 -90.45 9.56 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' ASN . 13.6 tp -37.02 -46.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -52.57 -58.61 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -55.91 -60.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -43.25 -42.71 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 21.3 m-85 -134.95 94.25 16.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.0 Cg_endo -69.74 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -66.25 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' ARG . 59.3 t-105 -47.43 -62.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.66 -27.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' TRP . 93.7 m -95.68 -32.64 12.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 51.4 ttp180 -71.37 -51.04 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.1 p -46.11 -46.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' N ' HG13 ' A' ' 52' ' ' VAL . 67.0 mttt -55.32 -50.64 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 82.8 mm-40 -52.87 -34.62 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.605 ' HA ' HG21 ' A' ' 34' ' ' THR . 96.6 mt -65.4 -40.84 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.5 -59.24 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 15.6 ptmt -46.57 -47.89 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 27.8 mt -65.66 -36.64 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.713 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 72.3 t-105 -61.94 -52.39 64.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.9 mtm-85 -58.9 -48.76 80.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -44.86 -45.15 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 127.49 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 t -60.57 151.59 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -48.31 -49.73 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -55.18 -22.71 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.72 -37.36 35.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.959 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.1 mtp180 -78.91 -19.14 52.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.46 -58.44 0.52 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.0 Cg_endo -69.73 -51.14 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.8 -15.87 23.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.1 t -83.73 -40.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -79.64 -42.62 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.94 ' HE2' HD21 ' A' ' 32' ' ' LEU . 3.3 ttpt -51.95 -46.05 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -39.25 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -70.77 -44.86 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.09 -36.86 85.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -55.91 -35.79 66.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 74.2 mtt180 -63.49 -40.4 96.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.81 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 m0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.802 0.334 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -51.06 -37.95 48.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.38 -49.15 65.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.837 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 mm-40 -66.54 -24.62 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.12 -26.41 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 19' ' ' GLU . 6.6 mt -79.7 -16.24 56.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.39 -112.99 2.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.82 -19.12 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 mtp -93.97 12.25 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.5 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.403 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 35.6 p -84.54 25.96 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.8 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -132.37 156.16 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.765 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.71 -57.76 5.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.54 0.686 . . . . 0.0 111.08 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.8 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.77 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 31' ' ' VAL . 6.0 t -56.9 -15.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' HD3' ' A' ' 73' ' ' LYS . 18.4 tp -94.15 -50.76 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -47.32 -53.6 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' PHE . 18.1 p -61.53 -53.17 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 2.0 m120 -41.51 -39.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -89.25 -64.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -49.67 -54.51 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 87.1 m-85 -106.47 87.54 2.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.38 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -80.68 8.88 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.532 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.12 -59.08 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -40.37 -43.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.54 -62.16 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 23.2 mt-10 -44.94 -44.01 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 2.7 m-85 -134.84 93.77 17.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.2 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.15 108.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' THR . 53.3 t-105 -43.65 -61.93 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -41.27 -25.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' TRP . 38.1 m -96.13 -38.84 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.532 ' HD2' HD23 ' A' ' 41' ' ' LEU . 5.3 ttp-105 -66.9 -51.87 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG13 ' N ' ' A' ' 53' ' ' LYS . 7.9 p -39.72 -50.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.57 ' N ' HG13 ' A' ' 52' ' ' VAL . 24.1 mttp -50.73 -49.02 58.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 66.1 mm-40 -51.44 -57.51 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.3 mt -44.53 -34.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 53' ' ' LYS . . . -65.79 -54.32 28.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 18.5 pttt -62.76 -49.15 76.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 50.9 mt -57.86 -34.51 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.765 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.0 t-105 -71.86 -51.0 24.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.26 -43.23 96.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -49.26 -43.72 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 148.79 43.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -81.73 150.31 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.83 -44.53 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.2 -23.97 64.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -82.22 -34.85 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.5 mtp180 -79.45 -18.86 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.7 -57.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.79 -51.27 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.57 -16.67 26.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.9 t -84.32 -39.85 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -79.3 -46.51 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HD3' HD21 ' A' ' 32' ' ' LEU . 40.1 tttp -47.63 -50.35 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.65 52.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -67.18 -44.04 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.1 -37.68 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.05 -35.11 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 52.6 mtp180 -64.6 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.0 m0 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.713 0.292 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.23 -30.25 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -77.33 -50.42 12.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.2 mm-40 -63.03 -28.72 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.575 ' HG2' HG13 ' A' ' 31' ' ' VAL . 7.6 mm-40 -57.0 -29.73 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.42 -32.74 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 19' ' ' GLU . 17.4 mt -71.16 -15.63 62.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 55.43 -117.44 8.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.18 -14.83 19.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.451 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.7 mmm -90.76 -6.39 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -40.29 124.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -82.63 14.32 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.766 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -119.04 158.18 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -71.62 -58.92 3.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.766 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.76 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG13 ' HG2' ' A' ' 20' ' ' GLU . 5.2 t -55.71 -21.2 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 18.7 tp -87.99 -49.2 7.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -48.24 -58.89 3.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 p -54.75 -50.9 67.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 70.9 m-20 -43.03 -35.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.3 mt -89.61 -64.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.92 -54.12 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -110.58 86.64 5.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -41.22 4.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.638 2.226 . . . . 0.0 112.378 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -86.76 13.48 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.678 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.5 tp -39.98 -58.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -37.91 -40.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.19 -64.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.541 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.84 -43.38 4.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 54' ' ' GLN . 3.8 m-85 -134.58 93.76 18.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.5 Cg_endo -69.76 -42.25 3.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.92 110.14 6.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' THR . 54.0 t-105 -43.35 -63.76 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.79 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.1 m -97.25 -35.82 10.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.678 ' HD2' HD23 ' A' ' 41' ' ' LEU . 4.6 ttp-105 -70.46 -50.75 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.9 p -44.66 -39.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' N ' HG13 ' A' ' 52' ' ' VAL . 41.7 mttm -62.83 -33.29 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 98.2 mm-40 -69.24 -34.18 74.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.81 -38.0 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.01 5.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.7 ptmt -52.85 -48.55 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 39.9 mt -64.25 -34.87 79.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.678 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 67.9 t-105 -64.29 -53.88 42.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.0 mtp-105 -62.03 -41.88 98.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -47.5 -38.55 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.7 137.71 49.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 t -66.93 155.1 39.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -51.54 -47.92 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.87 -11.7 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -88.41 -36.87 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.954 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.5 mtp180 -79.24 -18.31 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.01 -58.29 0.6 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -59.83 -15.85 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.6 t -84.27 -42.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.02 -43.9 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -50.31 -49.94 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.06 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -71.16 -41.66 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -68.19 -35.91 78.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -54.36 -35.31 62.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -64.64 -33.54 76.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.11 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.1 m0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.763 0.316 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.13 -38.0 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -70.68 -42.72 70.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -70.4 -19.54 63.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG2' HG13 ' A' ' 31' ' ' VAL . 12.0 mm-40 -65.89 -20.98 66.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.09 -31.75 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.88 -20.8 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 61.53 -121.64 26.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.12 -11.15 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 26' ' ' ALA . 4.2 mtp -91.38 -16.7 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -33.62 121.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -78.08 8.79 4.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.894 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.5 t -110.4 157.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.56 -59.18 2.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.565 0.698 . . . . 0.0 111.035 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.894 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.8 Cg_endo -69.68 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.444 HG13 ' HG2' ' A' ' 20' ' ' GLU . 2.8 t -58.41 -13.69 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 17.7 tp -94.21 -49.41 5.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -51.35 -54.42 26.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 55' ' ' ILE . 22.9 p -57.88 -43.64 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 31.5 m-20 -52.1 -30.31 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.43 -53.45 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.24 -55.47 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 55.2 m-85 -105.5 90.73 4.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 38' ' ' PHE . 54.3 Cg_endo -69.74 -44.66 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . 9.9 m120 -82.95 8.4 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.3 tp -37.83 -52.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.48 -62.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 11.4 mt-10 -38.37 -41.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 4.3 m-85 -134.97 93.62 17.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.8 -44.12 2.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.17 108.12 3.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ARG . 50.4 t-105 -44.86 -62.86 1.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -40.44 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' TRP . 97.5 m -93.88 -35.56 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 41' ' ' LEU . 2.4 ttp-105 -70.6 -49.84 43.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.83 -25.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -76.15 -44.58 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 93.5 mm-40 -58.79 -32.15 69.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' THR . 80.4 mt -69.1 -34.41 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.85 -50.08 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -60.1 -49.22 78.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 16.3 mt -63.27 -35.1 79.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 69.0 t-105 -63.55 -55.51 23.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -59.6 -39.75 85.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -49.55 -39.52 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 138.05 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -67.19 151.48 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.41 -49.11 25.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.38 -22.98 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -77.14 -35.16 56.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.938 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.0 mtp180 -80.17 -16.4 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.22 -57.36 1.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -48.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -62.6 -16.62 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.5 t -86.35 -37.71 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -81.81 -43.48 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.14 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HA ' ' NH1' ' A' ' 78' ' ' ARG . 15.2 mtp85 -60.93 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -57.86 -39.72 78.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -52.67 -35.53 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 75' ' ' ARG . 82.3 mtm-85 -60.67 -39.67 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.76 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.5 m0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.773 0.32 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.87 -40.32 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.82 -51.84 66.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.586 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.2 mm-40 -61.35 -37.84 84.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.538 ' HG2' HG13 ' A' ' 31' ' ' VAL . 14.1 mm-40 -46.88 -31.92 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -33.47 65.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 19' ' ' GLU . 15.8 mt -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.39 -116.08 8.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.48 -9.5 26.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.2 mtp -94.82 -9.35 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.35 125.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.501 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 51.3 p -82.52 6.6 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.812 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -108.82 155.72 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.747 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.97 -57.97 4.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.76 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.538 HG13 ' HG2' ' A' ' 20' ' ' GLU . 4.2 t -56.99 -15.01 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -94.13 -52.54 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -46.35 -53.57 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.442 HG21 HG12 ' A' ' 55' ' ' ILE . 19.1 p -60.89 -44.92 96.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -48.31 -34.52 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -93.41 -64.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -50.26 -51.05 47.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -106.47 87.82 2.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.48 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.727 2.285 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -86.58 14.89 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.7 tp -43.86 -56.34 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 18.5 ptmt -43.66 -44.21 6.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 14.9 mt-10 -62.37 -58.51 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.09 -40.0 21.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 4.6 m-85 -133.87 93.36 20.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.4 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.04 110.97 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.8 t-105 -44.09 -60.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.73 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' TRP . 49.1 m -95.24 -38.65 10.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' A' ' 41' ' ' LEU . 19.1 ttp180 -65.92 -53.51 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 53' ' ' LYS . 11.7 p -46.28 -44.97 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' N ' HG13 ' A' ' 52' ' ' VAL . 38.9 mttm -55.61 -40.82 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.555 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 21.6 mm100 -62.79 -60.51 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 34' ' ' THR . 72.3 mt -39.11 -32.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -56.76 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.52 -48.46 81.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.7 mt -57.14 -35.48 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.747 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 74.5 t-105 -74.32 -46.07 43.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 24.4 mtp180 -59.78 -40.23 87.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.66 -42.86 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.88 138.14 58.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -80.15 156.97 26.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.45 -47.42 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -58.17 -24.89 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.26 -37.6 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 71' ' ' VAL . 31.1 mtt180 -79.39 -16.06 56.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.7 -58.62 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.77 -51.23 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -59.54 -16.44 24.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 67' ' ' ARG . 79.6 t -85.81 -39.08 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -79.23 -47.18 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -48.67 -51.37 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 27' ' ' THR . . . -49.06 -38.53 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -70.18 -45.03 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.3 -37.19 84.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -55.57 -37.53 68.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 40.5 mtp180 -59.46 -39.87 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.3 m0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.673 0.273 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -45.59 -32.3 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.18 -45.81 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.672 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -67.2 -23.18 65.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 8.0 mm-40 -59.97 -19.33 51.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 -40.4 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' CD ' ' A' ' 19' ' ' GLU . 17.7 mt -60.0 -26.29 65.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 66.29 -119.32 12.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.2 -15.12 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.3 mtp -89.87 -8.22 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -40.52 120.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 50.3 p -76.6 5.31 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.89 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.5 t -106.79 158.16 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -73.07 -59.11 2.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.89 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.76 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 31' ' ' VAL . 3.2 t -55.96 -18.24 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 19.6 tp -90.44 -50.24 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 5.3 t80 -49.97 -55.82 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 p -58.13 -42.24 85.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.46 HD22 ' HB2' ' A' ' 26' ' ' ALA . 29.7 m-20 -52.02 -33.59 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -90.4 -60.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 6.6 m120 -55.45 -50.86 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -105.34 90.99 4.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.5 Cg_endo -69.75 -40.49 5.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.01 19.57 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.37 -47.3 6.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -51.68 -51.86 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.91 -57.96 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 mp0 -48.77 -41.28 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 16.3 m-85 -135.0 93.65 17.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.69 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.91 107.66 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 51.1 t-105 -44.4 -63.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -42.01 -25.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' TRP . 74.1 m -94.16 -36.6 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -71.49 -51.76 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 55' ' ' ILE . 9.1 p -41.25 -29.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.16 -45.27 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 94.4 mm-40 -59.2 -31.22 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.5 mt -68.51 -34.77 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 7.5 ptmm? -66.67 -49.28 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 38.2 mt -63.67 -25.89 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.685 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.0 t-105 -79.89 -45.48 18.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.12 -49.67 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -52.66 -28.49 21.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.01 131.56 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 p -62.5 149.07 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -49.41 -47.17 48.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -58.76 -21.32 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.82 -39.12 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 15.1 mtp180 -77.72 -22.74 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.31 -59.09 0.4 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -51.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 53.2 m-85 -60.17 -14.59 18.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 88.8 t -86.18 -37.83 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -83.18 -43.98 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -54.02 -44.01 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 27' ' ' THR . . . -54.24 -40.02 67.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -67.6 -45.2 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -62.79 -38.09 89.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -53.84 -34.92 60.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 mtm105 -61.7 -40.91 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -59.88 -52.14 66.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . 32.4 m0 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.699 0.285 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.5 tp10 -37.03 -39.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -64.04 -51.93 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -63.15 -31.98 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.636 ' OE2' HD11 ' A' ' 55' ' ' ILE . 3.7 mm-40 -53.0 -27.35 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.83 -32.86 40.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 19' ' ' GLU . 10.1 mt -73.86 -15.23 61.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.86 -116.23 5.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.29 -17.44 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.479 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 27.0 mmm -87.73 -9.83 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.99 122.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.415 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 59.4 p -83.46 24.27 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.816 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -124.45 157.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.795 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.93 -58.5 3.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.816 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.0 Cg_endo -69.73 -51.48 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 31' ' ' VAL . 4.3 t -56.1 -19.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.3 tp -89.85 -55.05 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -43.72 -55.12 4.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.565 HG21 ' HA ' ' A' ' 55' ' ' ILE . 12.5 p -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.432 HD21 ' HA ' ' A' ' 35' ' ' ASN . 1.9 m120 -49.64 -34.04 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -91.68 -65.22 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -50.96 -47.83 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 58' ' ' LEU . 86.2 m-85 -106.85 88.25 3.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -46.34 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -85.75 10.55 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' HD2' ' A' ' 51' ' ' ARG . 8.2 tp -38.25 -48.49 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG2' ' NH1' ' A' ' 51' ' ' ARG . 23.6 mtpp -46.84 -54.79 9.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.59 -59.53 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 13.6 mm-40 -45.01 -41.94 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.617 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 8.6 m-85 -134.39 93.6 18.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.6 Cg_endo -69.77 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.2 114.03 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 34.9 t-105 -44.76 -63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.69 -27.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' TRP . 90.5 m -91.25 -40.86 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' HD23 ' A' ' 41' ' ' LEU . 28.2 ttp180 -68.32 -53.66 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.7 p -44.1 -47.28 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.544 ' N ' HG13 ' A' ' 52' ' ' VAL . 82.6 mttt -51.62 -40.82 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.617 ' CD ' ' CE2' ' A' ' 45' ' ' PHE . 57.0 mm-40 -62.13 -62.12 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.636 HD11 ' OE2' ' A' ' 20' ' ' GLU . 97.2 mt -36.37 -38.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.27 -53.97 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.545 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.6 ptpt -62.06 -50.63 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 24.3 mt -58.22 -25.24 61.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.795 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 70.5 t-105 -84.32 -42.83 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.451 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 64.4 mtt-85 -59.05 -49.21 78.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 8.1 ptmt -49.85 -34.76 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -67.05 136.14 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.2 m -82.15 153.78 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -44.93 -49.86 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -55.03 -28.72 54.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.08 -37.58 33.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 71' ' ' VAL . 37.7 mtt180 -79.36 -17.16 55.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.99 -58.49 0.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.73 . . . . 0.0 111.078 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.2 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.69 -16.33 26.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.4 t -86.39 -36.83 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -81.15 -45.8 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -50.44 -49.16 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.45 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -67.05 -52.22 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -55.71 -38.21 69.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -54.13 -35.94 62.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 95.3 mtt180 -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -52.47 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.8 m0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.698 0.285 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -40.01 -41.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -68.48 -47.51 66.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -66.14 -22.91 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 8.4 mm-40 -61.09 -28.99 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.66 -33.15 53.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 19' ' ' GLU . 12.9 mt -69.43 -17.2 63.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 55.31 -117.59 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.65 -16.31 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.424 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.8 mmm -88.83 -10.43 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.29 124.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 72.5 p -82.32 9.89 8.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.856 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.1 t -112.78 154.75 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.772 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -69.99 -57.53 6.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.856 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.4 Cg_endo -69.79 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.86 -14.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 tp -94.2 -49.82 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -49.98 -54.09 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 55' ' ' ILE . 12.2 p -58.46 -45.25 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 2.0 m120 -48.17 -42.44 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.59 -65.09 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -50.29 -52.5 35.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 66.1 m-85 -107.18 84.34 1.66 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -38.69 7.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.42 13.8 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.666 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.67 -56.47 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -41.34 -42.26 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.72 -59.74 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 27.1 mt-10 -49.99 -41.18 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 2.4 m-85 -134.96 93.56 17.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.74 -47.69 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.78 115.8 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' ARG . 61.2 t-105 -48.57 -60.44 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -42.32 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' TRP . 94.3 m -99.68 -28.63 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HD2' HD23 ' A' ' 41' ' ' LEU . 48.1 ttp180 -77.05 -50.24 13.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.6 p -44.39 -44.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' N ' HG13 ' A' ' 52' ' ' VAL . 63.3 mttt -54.39 -38.17 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 74.7 mm-40 -67.99 -59.42 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.525 ' HA ' HG21 ' A' ' 34' ' ' THR . 81.9 mt -36.3 -34.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -76.0 -50.83 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -58.94 -37.47 76.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 34.7 mt -76.31 -27.28 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.772 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 72.9 t-105 -78.85 -41.32 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -64.86 -51.51 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -51.99 -22.87 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 134.75 46.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 m -70.36 154.46 41.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.75 -10.99 31.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -90.01 -37.53 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.958 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.9 mtp180 -78.68 -19.81 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.79 -58.66 0.45 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.1 Cg_endo -69.8 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -60.53 -14.36 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 67' ' ' ARG . 84.8 t -86.83 -38.82 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -82.9 -43.33 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -52.89 -47.37 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.48 59.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.19 -41.17 94.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.03 -36.36 83.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.41 -34.98 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.478 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 73.8 mtp180 -62.75 -35.48 79.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.47 66.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 25.9 m0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.725 0.298 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -48.33 -31.92 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -75.06 -50.48 16.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -62.2 -29.0 70.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.6 -27.41 39.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -38.43 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 19' ' ' GLU . 11.1 mt -68.72 -14.92 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.02 -115.53 4.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.12 -16.99 36.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.2 mmm -89.19 -3.3 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.9 124.57 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -82.11 17.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -116.93 156.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.1 -58.71 3.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.799 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.0 Cg_endo -69.78 -51.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 3.5 t -56.59 -17.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.0 tp -90.91 -47.48 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.408 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 9.8 t80 -52.05 -56.8 12.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' PHE . 11.4 p -56.99 -47.35 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 74.6 m-20 -46.72 -35.26 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.4 mt -91.41 -64.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -54.02 -51.88 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 89.0 m-85 -109.12 84.4 2.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -43.67 2.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.17 13.53 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.8 tp -45.44 -49.6 13.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -47.92 -39.91 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.71 -60.89 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 18.3 mt-10 -45.43 -40.47 8.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.554 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 13.5 m-85 -134.63 93.81 17.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.9 Cg_endo -69.71 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -67.61 110.64 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' THR . 48.3 t-105 -44.11 -62.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.52 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.8 m -97.44 -37.11 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.557 ' HD2' HD23 ' A' ' 41' ' ' LEU . 2.8 ttp-105 -68.17 -51.27 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -43.97 -41.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' N ' HG13 ' A' ' 52' ' ' VAL . 36.0 mttm -60.14 -38.13 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.554 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 96.5 mm-40 -66.46 -30.7 71.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.3 mt -69.16 -36.81 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.62 -51.32 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.5 ptmm? -58.45 -49.56 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 31.8 mt -64.3 -29.25 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 63.9 t-105 -67.44 -56.86 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -54.29 -51.37 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -38.9 -42.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.25 120.33 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -56.88 155.33 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.42 -44.36 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -59.21 -25.23 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.78 -33.83 40.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.852 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.5 mtp-105 -78.97 -17.72 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.98 -58.63 1.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.8 -51.6 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 47.7 m-85 -59.42 -17.56 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 67' ' ' ARG . 70.0 t -88.17 -35.76 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -81.44 -48.83 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -50.66 -50.98 53.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.81 -46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -64.46 -48.13 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.97 -37.47 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -56.49 -35.09 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -62.51 -41.16 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.65 93.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.484 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 37.5 m0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.706 0.289 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.81 -28.58 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -82.21 -60.01 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 27' ' ' THR . 3.5 mm-40 -52.64 -32.27 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.589 ' OE2' HD11 ' A' ' 55' ' ' ILE . 5.1 mt-10 -55.55 -37.74 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.75 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 19' ' ' GLU . 19.2 mt -76.66 -12.31 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.88 -119.23 8.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.99 -16.48 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 32.9 mmm -93.99 12.92 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -58.09 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 19' ' ' GLU . 73.2 p -78.69 10.91 2.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.797 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -118.77 157.35 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.858 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.0 -58.33 4.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.797 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.67 -50.63 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 5.8 t -56.69 -16.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.682 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.3 tp -94.35 -53.6 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -44.24 -51.53 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' PHE . 23.0 p -61.91 -50.49 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.414 HD21 ' HA ' ' A' ' 35' ' ' ASN . 4.8 m120 -42.94 -36.49 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.5 mt -92.68 -62.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.66 -53.38 47.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 94.5 m-85 -106.95 86.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -83.24 11.17 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.694 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.53 -53.75 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -44.34 -39.46 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.55 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 1.9 mp0 -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 3.4 m-85 -134.93 94.13 16.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.3 Cg_endo -69.73 -44.38 2.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.87 112.55 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.47 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 34.8 t-105 -43.03 -62.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -41.01 -28.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.1 m -91.62 -42.17 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.694 ' HD2' HD23 ' A' ' 41' ' ' LEU . 13.6 ttp-105 -65.53 -53.98 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.5 p -43.9 -48.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.549 ' N ' HG13 ' A' ' 52' ' ' VAL . 52.5 mttm -53.86 -37.32 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 76.5 mm-40 -66.44 -62.04 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.589 HD11 ' OE2' ' A' ' 20' ' ' GLU . 80.3 mt -36.23 -33.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -68.71 -62.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.33 -38.15 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 39.4 mt -70.06 -29.42 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.858 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 55.5 t-105 -77.25 -35.86 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -62.69 -54.98 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -42.62 -47.16 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.11 113.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 65' ' ' GLN . 43.4 m -53.28 150.91 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -50.52 -44.34 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' A' ' 63' ' ' SER . 18.9 pm0 -65.12 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.78 -35.56 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.7 mtp180 -79.34 -17.48 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.06 -58.5 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.617 0.723 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.77 -51.45 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -59.31 -16.47 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' ARG . 96.3 t -83.88 -42.85 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -78.52 -43.43 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -49.19 -49.7 41.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.32 -44.68 62.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.63 -45.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.36 -31.8 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 78' ' ' ARG . 10.8 mtp-105 -64.25 -34.91 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.11 58.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 34.8 m0 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.74 0.305 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -51.33 -44.07 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -59.57 -46.19 89.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.788 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.0 mm-40 -70.48 -31.55 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mt-10 -57.32 -30.06 64.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.3 56.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.5 mt -79.05 -12.49 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 52.53 -117.47 6.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.98 -13.71 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.414 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.0 mmm -96.29 8.15 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -52.02 125.71 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 47.0 p -83.31 17.59 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.791 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -126.4 154.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.869 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.48 -56.8 6.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.791 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.75 -46.89 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.394 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 9.4 t -61.23 -22.5 27.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 29.1 tp -86.74 -53.44 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -43.59 -52.02 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 55' ' ' ILE . 35.4 p -62.28 -44.73 95.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.632 HD22 ' HB2' ' A' ' 26' ' ' ALA . 69.2 m-20 -49.07 -39.92 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -88.47 -65.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 2.4 m-80 -49.24 -53.07 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 78.7 m-85 -106.34 87.27 2.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.9 Cg_endo -69.7 -42.55 3.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.39 12.54 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.55 -55.83 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 15.2 ptpt -42.23 -42.64 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 4.9 mm-40 -61.55 -61.91 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 12.2 mm-40 -45.53 -42.29 10.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 54' ' ' GLN . 11.4 m-85 -134.79 93.92 17.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.65 -46.43 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.62 110.0 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . 39.7 t-105 -44.46 -62.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.82 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' TRP . 98.7 m -98.23 -33.57 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HD2' HD23 ' A' ' 41' ' ' LEU . 27.1 ttp180 -71.53 -51.07 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 53' ' ' LYS . 13.6 p -40.23 -50.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.6 ' N ' HG13 ' A' ' 52' ' ' VAL . 40.6 mttt -51.26 -37.41 47.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.569 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 93.4 mm-40 -65.45 -35.39 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.416 ' HA ' HG21 ' A' ' 34' ' ' THR . 77.7 mt -62.77 -36.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.88 -59.4 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 11.7 ptmt -49.57 -48.77 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.587 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 30.6 mt -62.45 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.869 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 76.2 t-105 -58.75 -43.77 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 31.2 mtp180 -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -55.97 -40.25 72.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -61.68 137.69 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 t -78.62 161.25 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -52.64 -53.54 45.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -52.46 -20.3 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -86.72 -38.21 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.952 ' O ' HG23 ' A' ' 71' ' ' VAL . 47.9 mtt180 -78.28 -21.31 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.57 -58.93 0.51 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.74 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -60.05 -15.45 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 67' ' ' ARG . 96.0 t -84.95 -38.64 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -83.62 -45.87 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -49.43 -43.49 44.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.03 -44.58 78.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -65.91 -49.77 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -57.19 -38.32 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 28.5 mtm105 -62.15 -33.2 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.51 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.0 m0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.739 0.305 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -45.88 -39.25 8.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -69.57 -58.54 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.848 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.2 mm-40 -54.04 -29.0 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HG2' HG13 ' A' ' 31' ' ' VAL . 20.1 mm-40 -59.37 -22.85 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.04 -28.08 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 19' ' ' GLU . 6.4 mt -75.09 -15.64 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.71 -116.74 8.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.51 -9.59 9.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.7 mmm -95.5 -7.17 38.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -38.02 126.0 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 57.0 p -84.87 15.25 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.791 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -120.62 160.21 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.57 -59.11 2.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.68 . . . . 0.0 111.082 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.791 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.2 Cg_endo -69.77 -51.27 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG13 ' HG2' ' A' ' 20' ' ' GLU . 10.8 t -55.05 -21.29 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 20.2 tp -87.81 -49.4 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -48.01 -58.94 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 2.4 p -53.37 -52.25 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.42 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 54.4 m-20 -42.34 -37.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.95 -64.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 5.6 m-80 -53.04 -54.67 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 93.0 m-85 -106.66 86.69 2.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.5 Cg_endo -69.79 -42.87 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -84.56 12.32 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.648 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.9 tp -44.5 -45.05 9.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.05 -35.31 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 30.4 mm-40 -71.99 -54.79 8.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 19.2 mt-10 -52.84 -38.24 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 2.1 m-85 -134.86 93.92 17.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.82 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 110.08 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' THR . 47.7 t-105 -44.01 -62.25 1.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -42.55 -23.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' TRP . 72.7 m -95.79 -36.6 11.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.648 ' HD2' HD23 ' A' ' 41' ' ' LEU . 24.1 ttp180 -69.8 -55.29 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.3 p -40.4 -47.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' N ' HG13 ' A' ' 52' ' ' VAL . 29.6 mttm -51.74 -41.33 61.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.566 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 76.7 mm-40 -62.0 -59.32 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.425 HG12 HG21 ' A' ' 34' ' ' THR . 68.4 mt -38.51 -35.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -58.13 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 10.7 pttp -55.79 -50.61 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 22.6 mt -59.01 -36.05 74.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.609 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 71.3 t-105 -65.81 -54.27 29.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -56.94 -43.29 81.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -48.68 -42.63 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.68 123.46 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 m -57.7 151.57 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -47.41 -45.12 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.66 -27.12 62.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.63 -36.77 57.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.956 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.1 mtp180 -78.78 -20.44 49.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.62 -58.28 0.55 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.741 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.71 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -60.11 -15.31 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.4 t -85.61 -37.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -83.33 -41.92 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -52.69 -49.31 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.71 -49.04 29.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 -61.09 -46.94 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.51 -36.55 80.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -57.7 -31.87 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 53.6 mtp180 -68.16 -35.33 77.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.41 -49.84 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.434 ' CD2' HG22 ' A' ' 31' ' ' VAL . 20.0 m0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.699 0.285 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.6 tm-20 -37.2 -42.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -66.11 -47.6 73.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.7 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -66.71 -27.43 67.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HG2' HG13 ' A' ' 31' ' ' VAL . 7.3 mm-40 -58.12 -21.77 48.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.63 21.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.6 mt -68.85 -19.0 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 57.77 -119.54 17.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.08 -14.74 7.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.48 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.7 mmm -87.76 -17.22 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -34.07 118.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 66.1 p -78.09 5.76 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.817 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.3 t -105.24 160.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -74.1 -59.53 1.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.817 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.289 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' A' ' 19' ' ' GLU . 6.2 t -54.97 -19.77 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 15.9 tp -91.21 -48.48 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.408 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 11.5 t80 -49.96 -56.0 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 55' ' ' ILE . 6.6 p -58.88 -42.96 90.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.425 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 2.3 m120 -48.93 -36.69 17.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -88.97 -65.21 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -50.59 -50.5 53.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 32.9 m-85 -106.64 86.65 2.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -37.45 9.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.76 2.307 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -93.24 15.73 14.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -45.07 -50.43 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -47.97 -56.24 8.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.21 -58.34 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -46.07 -40.93 11.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 39.2 m-85 -134.77 94.29 16.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.7 0.762 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.72 -46.32 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.77 111.07 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.533 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 31.6 t-105 -42.49 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.53 -29.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -90.91 -39.55 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -68.74 -54.77 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' HB ' ' CZ2' ' A' ' 48' ' ' TRP . 8.9 p -42.28 -45.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 52' ' ' VAL . 64.1 mttt -55.16 -43.55 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 98.8 mm-40 -60.3 -32.71 71.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' THR . 96.6 mt -65.38 -37.27 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -53.98 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 8.4 ptmt -56.91 -49.08 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 27.3 mt -65.25 -22.86 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.2 t-105 -81.4 -46.55 14.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.48 -46.9 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -25.99 30.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.66 132.11 44.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -63.32 148.76 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 m -50.44 -44.74 55.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -61.59 -19.48 62.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -80.65 -37.15 31.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.972 ' O ' HG23 ' A' ' 71' ' ' VAL . 20.0 mtp180 -78.17 -22.0 49.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.734 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.74 -58.66 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.04 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 57.0 m-85 -60.66 -15.06 24.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 67' ' ' ARG . 85.3 t -85.4 -37.42 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -85.02 -44.84 12.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -52.62 -44.06 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -47.41 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -63.5 -48.32 78.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.12 -39.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -52.26 -37.55 55.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 45.4 mtt85 -60.05 -45.04 94.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -55.43 -52.14 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 18.6 m0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -39.92 -35.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -77.51 -57.69 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.842 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.1 mm-40 -56.94 -20.46 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mm-40 -66.12 -21.15 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.52 -24.81 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.842 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.5 mt -78.08 -11.8 59.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.72 -116.01 5.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.6 -13.59 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.6 mmm -95.15 11.92 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -58.06 127.01 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.734 HG23 ' OE2' ' A' ' 19' ' ' GLU . 56.9 p -83.87 21.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.776 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -128.65 156.13 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.59 -57.71 5.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.776 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.1 Cg_endo -69.7 -47.58 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG11 ' HB2' ' A' ' 19' ' ' GLU . 5.3 t -61.64 -16.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 30.1 tp -92.43 -47.14 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.92 -56.64 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.458 ' HB ' HD22 ' A' ' 41' ' ' LEU . 2.6 p -57.16 -51.53 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.441 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 55.4 m-20 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.37 -64.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.45 -51.78 57.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 38.9 m-85 -106.79 86.11 2.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.63 10.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -89.72 13.08 15.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' HB ' ' A' ' 34' ' ' THR . 11.8 tp -43.71 -58.23 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.449 ' CD ' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.02 -58.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.49 -61.68 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 17.3 mt-10 -40.97 -41.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 14.8 m-85 -134.98 94.05 16.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.27 118.03 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 39.6 t-105 -50.09 -62.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.31 -23.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.7 m -94.15 -43.2 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -64.23 -53.26 51.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 53' ' ' LYS . 10.4 p -43.79 -40.91 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.426 ' N ' HG13 ' A' ' 52' ' ' VAL . 23.6 mttm -61.66 -44.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 88.6 mm-40 -57.44 -42.56 82.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.57 HG22 ' HB2' ' A' ' 30' ' ' PRO . 74.2 mt -56.04 -37.1 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.94 -59.9 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.7 ptmt -52.8 -48.32 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.487 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 19.4 mt -65.82 -26.47 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.823 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 67.7 t-105 -78.91 -39.54 34.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -64.43 -54.18 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 6.1 ptmt -48.52 -33.64 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -61.81 126.77 28.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -64.08 149.36 47.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -47.72 -46.95 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -55.23 -28.34 52.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 6.8 tp10 -76.71 -35.22 57.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.947 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.4 mtp-105 -77.7 -23.96 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.66 -58.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.54 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 66' ' ' GLU . 44.8 m-85 -59.69 -15.83 22.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.4 t -85.48 -37.0 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -84.34 -46.42 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -49.73 -44.68 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.19 -47.49 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -61.97 -46.61 88.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.67 -37.12 86.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -58.93 -29.74 67.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -68.57 -33.63 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.06 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.8 m0 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.753 0.311 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.65 -42.72 25.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -66.36 -56.01 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.776 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -55.0 -34.55 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -52.15 -35.62 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.47 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 19' ' ' GLU . 14.2 mt -70.0 -17.79 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 58.34 -118.96 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -60.12 -13.04 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.0 mmm -90.0 -9.46 48.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -36.52 127.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.712 HG23 ' OE2' ' A' ' 19' ' ' GLU . 43.2 p -85.95 15.4 5.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.838 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -122.55 158.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.885 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.07 -57.12 5.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.838 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.7 Cg_endo -69.74 -44.07 2.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 19' ' ' GLU . 16.7 t -61.92 -22.42 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.9 tp -88.28 -50.81 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -45.44 -56.12 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.609 HG21 ' HA ' ' A' ' 55' ' ' ILE . 3.2 p -60.61 -43.37 97.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.566 ' ND2' ' HB2' ' A' ' 26' ' ' ALA . 49.9 m-20 -49.82 -33.6 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.3 mt -92.35 -62.53 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -53.78 -50.43 66.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 52.2 m-85 -109.29 87.1 4.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.83 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.75 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -83.51 14.06 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -43.88 -57.25 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' CD ' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -40.05 -60.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.57 -58.68 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm-40 -44.05 -40.3 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 5.4 m-85 -134.62 93.88 17.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.8 Cg_endo -69.74 -50.31 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.27 . . . . 0.0 112.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.16 115.24 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -49.61 -61.99 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.48 -24.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.3 m -94.61 -35.32 12.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.22 -53.42 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -46.58 -28.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -68.36 -35.81 78.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.542 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 40.9 mm-40 -68.74 -58.33 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.609 ' HA ' HG21 ' A' ' 34' ' ' THR . 77.1 mt -40.72 -34.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.93 -55.72 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 19.8 pttt -59.81 -47.61 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.7 mt -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.885 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 71.0 t-105 -77.27 -45.66 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.43 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 29.3 mtp180 -55.26 -53.72 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 58' ' ' LEU . 5.8 ptmt -46.01 -31.84 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.84 138.41 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -87.74 155.14 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -43.49 -56.45 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.37 -27.86 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -81.78 -38.25 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.939 ' O ' HG23 ' A' ' 71' ' ' VAL . 29.1 mtt180 -78.89 -19.6 51.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.18 -58.48 0.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.76 -51.24 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -59.96 -15.29 20.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 67' ' ' ARG . 91.7 t -86.24 -42.93 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.94 -48.69 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -47.35 -52.06 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.47 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 -63.92 -48.23 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.97 -39.03 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -54.49 -34.73 62.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 37.9 mtp180 -66.54 -42.21 87.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -49.3 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.5 m0 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.713 0.292 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 48' ' ' TRP . 5.0 pt-20 -42.79 -36.98 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -60.81 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.688 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -66.65 -36.73 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 31' ' ' VAL . 18.5 mm-40 -46.42 -39.73 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -34.6 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 19' ' ' GLU . 13.2 mt -69.22 -16.46 63.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 56.32 -117.71 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.22 -14.12 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.0 mmm -90.59 -7.16 53.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -39.41 122.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.45 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 69.2 p -84.29 19.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.828 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.1 t -124.82 156.03 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.903 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.07 -57.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.828 ' HD2' HG12 ' A' ' 28' ' ' VAL . 52.9 Cg_endo -69.81 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.296 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 20' ' ' GLU . 5.0 t -58.27 -15.02 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.0 tp -93.9 -55.2 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -42.21 -51.17 4.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.489 HG21 ' HA ' ' A' ' 55' ' ' ILE . 17.3 p -63.48 -47.64 80.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.567 HD22 ' HB2' ' A' ' 26' ' ' ALA . 43.5 m-20 -44.97 -41.94 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -87.34 -65.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -47.94 -52.82 18.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -106.32 88.07 3.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.81 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -90.21 12.58 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.641 HD23 ' HD2' ' A' ' 51' ' ' ARG . 7.1 tp -38.73 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -34.9 -43.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 34.3 mt-10 -57.63 -59.77 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.3 mm-40 -49.67 -42.37 45.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 5.9 m-85 -134.97 93.58 17.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.6 Cg_endo -69.78 -47.58 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.33 111.26 6.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.3 t-105 -44.43 -62.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -40.56 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 86.2 m -97.86 -34.85 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HD2' HD23 ' A' ' 41' ' ' LEU . 23.8 ttp180 -70.93 -52.45 19.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 53' ' ' LYS . 11.4 p -40.68 -45.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' N ' HG13 ' A' ' 52' ' ' VAL . 31.1 mttm -53.32 -39.03 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.557 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 87.8 mm-40 -66.57 -52.23 47.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.489 ' HA ' HG21 ' A' ' 34' ' ' THR . 72.4 mt -46.25 -31.73 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.97 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -53.53 -49.44 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 50.7 mt -58.38 -33.43 69.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.903 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 62.5 t-105 -73.83 -36.17 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 9.7 mmm180 -62.19 -51.2 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -41.38 -47.81 3.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' NE ' ' A' ' 67' ' ' ARG . . . -61.17 129.57 41.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.072 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -78.63 158.57 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.99 -52.7 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.85 -30.41 45.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.58 -36.46 44.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.924 ' O ' HG23 ' A' ' 71' ' ' VAL . 41.0 mtt180 -79.79 -16.91 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.41 -57.94 0.85 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -59.48 -17.11 28.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.8 t -85.82 -40.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -76.77 -48.26 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -49.75 -45.21 49.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.07 -47.28 68.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -63.99 -50.38 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.31 -39.58 76.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.79 -38.96 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.45 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 60.8 mtt180 -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -49.1 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.472 ' HA ' HG21 ' A' ' 31' ' ' VAL . 22.6 m0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -52.2 -38.51 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -73.69 -52.79 12.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.832 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -59.25 -29.32 67.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' HG13 ' A' ' 31' ' ' VAL . 12.4 mm-40 -58.16 -26.32 62.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -32.78 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 36.9 mt -70.44 -15.32 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.76 -120.74 23.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -59.53 -17.22 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.429 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.5 mmm -85.19 -8.52 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -37.44 130.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.9 p -88.36 8.06 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.847 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -115.76 157.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.761 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.83 -56.64 5.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.847 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 19' ' ' GLU . 19.4 t -64.77 -20.7 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 24.4 tp -88.39 -49.24 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -49.79 -58.82 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' PHE . 5.9 p -53.25 -53.83 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' A' ' 26' ' ' ALA . 71.1 m-20 -40.47 -37.99 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -88.94 -62.83 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.56 -56.38 15.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 62.9 m-85 -106.73 86.83 2.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -42.31 3.42 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -88.37 17.19 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.792 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.4 tp -43.65 -59.5 2.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 pttp -36.83 -40.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.2 -63.94 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.5 mm-40 -43.03 -44.78 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.9 m-85 -134.81 93.55 17.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.71 -48.49 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.09 113.79 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' THR . 45.0 t-105 -43.56 -65.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.52 -24.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.0 m -93.88 -36.88 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.792 ' HD2' HD23 ' A' ' 41' ' ' LEU . 19.6 ttp180 -70.92 -52.12 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -44.03 -46.57 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.544 ' N ' HG13 ' A' ' 52' ' ' VAL . 45.2 mttm -52.84 -33.93 51.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 30.9 mm100 -69.01 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLN . 68.6 mt -36.47 -32.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -72.5 -49.78 30.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HE3' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.36 -38.5 87.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 35.6 mt -73.15 -33.52 65.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.761 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 68.8 t-105 -69.08 -51.72 35.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -57.73 -50.28 73.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.12 -44.56 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 123.06 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 m -60.01 159.65 9.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 m -51.84 -48.67 63.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -56.16 -18.24 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.49 -39.59 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 15.1 mtp180 -78.5 -20.4 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.83 -58.72 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.529 0.68 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -60.23 -14.53 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 88.1 t -86.56 -37.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -83.87 -43.37 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -52.56 -48.74 65.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.0 -52.65 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -57.87 -47.73 81.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.4 -40.38 78.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -55.34 -35.2 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -62.28 -38.83 90.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.57 75.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.065 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -88.3 173.23 8.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 p -115.54 176.08 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.82 -135.26 10.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 92.4 p -116.04 135.09 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLY . 75.8 m -35.56 121.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.45 121.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -45.76 110.65 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.17 82.66 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -173.41 106.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.27 122.14 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -153.51 158.03 40.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -58.06 -22.41 50.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.74 -29.3 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -86.05 -46.92 10.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -41.95 -50.07 4.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.65 -37.04 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.95 -56.85 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -55.84 -24.63 37.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 7.9 mm-40 -60.42 -31.63 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.25 -30.51 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 19' ' ' GLU . 8.5 mt -75.0 -13.77 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.27 -115.91 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.9 -16.05 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.431 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 33.5 mmm -90.69 2.1 56.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.32 124.44 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 29.7 p -81.9 17.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -122.05 156.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.775 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.82 -57.76 4.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.798 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.79 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 19' ' ' GLU . 9.2 t -56.69 -17.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.1 tp -92.25 -53.31 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -44.25 -54.11 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.589 HG21 ' HA ' ' A' ' 55' ' ' ILE . 11.2 p -59.84 -45.58 91.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 4.6 m120 -49.61 -33.95 16.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.4 mt -92.58 -65.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.94 -48.08 60.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -112.76 84.52 6.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.13 8.21 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.37 9.62 22.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.506 HD23 ' HD2' ' A' ' 51' ' ' ARG . 8.2 tp -37.79 -62.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LEU . 19.1 ptmt -36.92 -46.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.09 -58.1 9.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 14.5 mm-40 -52.38 -40.14 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 10.6 m-85 -134.75 93.73 17.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.743 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.0 Cg_endo -69.72 -43.85 2.45 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.12 113.71 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.444 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 40.1 t-105 -45.57 -59.78 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.5 -26.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -97.11 -36.47 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.506 ' HD2' HD23 ' A' ' 41' ' ' LEU . 37.8 ttp180 -68.19 -51.99 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 53' ' ' LYS . 10.9 p -45.1 -43.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 52' ' ' VAL . 33.8 mttm -59.28 -37.88 78.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.549 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 96.4 mm-40 -65.38 -31.59 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.589 ' HA ' HG21 ' A' ' 34' ' ' THR . 95.3 mt -66.96 -35.94 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -57.76 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.1 ptmt -50.64 -48.93 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.9 mt -63.28 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.775 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 75.7 t-105 -63.99 -48.85 74.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 50.1 mtp180 -61.76 -37.19 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -55.67 -43.33 76.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -64.13 151.67 42.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -89.88 155.05 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.33 -47.91 25.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.8 -25.27 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -82.67 -38.13 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.897 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.7 mtt180 -79.25 -16.08 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.6 -58.79 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -59.31 -16.34 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 67' ' ' ARG . 75.6 t -84.24 -39.21 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -80.81 -47.18 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -48.01 -48.19 32.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.54 -43.41 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.052 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -68.67 -45.8 70.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -64.54 -30.78 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -61.42 -30.42 70.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 85.3 mtm180 -67.99 -32.3 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -71.79 -49.45 38.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.94 -40.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 75.8 mt -58.25 -60.97 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.04 -48.06 53.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.3 mp -68.1 -73.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -54.31 -179.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 tttt 61.48 39.07 15.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 86' ' ' VAL . 14.1 p -45.41 122.12 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -140.16 146.4 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.1 tpt -116.88 118.82 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 m -122.34 139.64 53.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 p -82.99 91.19 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -66.44 -52.65 44.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.1 161.42 10.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -137.57 164.29 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -115.76 115.39 26.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.79 90.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -95.77 143.54 26.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.33 139.26 39.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -142.32 109.21 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.1 ptt-85 -132.13 141.42 49.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.791 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -106.52 97.74 7.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -66.14 -13.75 60.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 mt -76.2 -15.56 60.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -113.24 28.02 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD2' HG22 ' A' ' 31' ' ' VAL . 25.4 m0 -113.78 -39.02 4.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.89 -27.61 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.76 -53.91 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.54 -22.45 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.48 -32.94 72.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.81 63.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 19' ' ' GLU . 15.0 mt -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.438 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.21 -115.99 5.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.39 -14.49 19.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 31.9 mmm -93.32 1.5 56.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -49.1 125.14 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 49.5 p -80.79 6.55 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.753 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -108.44 159.24 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.83 -59.67 2.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 0.0 111.067 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 29' ' ' ALA . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.306 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 16' ' ' TRP . 4.2 t -55.65 -19.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.7 tp -90.65 -49.25 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -47.93 -56.62 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -58.05 -49.96 75.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 78.2 m-20 -42.66 -34.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.4 mt -92.58 -63.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -52.54 -53.62 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 49.3 m-85 -107.77 85.12 2.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -40.09 5.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 41' ' ' LEU . 71.4 m-20 -85.09 8.17 18.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -37.25 -53.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -43.33 -51.8 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.81 -59.77 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.8 mt-10 -48.87 -41.29 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.56 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 1.9 m-85 -134.91 93.56 17.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.79 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 120.28 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 37.8 t-105 -52.68 -59.33 4.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.4 -23.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 m -99.58 -32.21 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD2' HD23 ' A' ' 41' ' ' LEU . 39.9 ttp180 -73.37 -51.03 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.4 p -47.56 -44.1 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' HG13 ' A' ' 52' ' ' VAL . 85.1 mttt -55.15 -40.17 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 66.7 mm-40 -62.87 -59.01 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.9 mt -38.85 -35.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.33 -56.34 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 26.3 pttt -58.48 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.528 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 20.9 mt -58.38 -33.62 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.673 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.8 t-105 -72.69 -53.34 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.425 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 62.1 mtt85 -58.92 -37.08 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -54.67 -39.82 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -68.78 146.99 52.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.1 m -84.64 156.23 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.57 -49.24 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.24 -23.63 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.91 -35.94 23.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 71' ' ' VAL . 46.8 mtt180 -80.87 -12.55 59.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -40.62 -57.53 3.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.2 Cg_endo -69.79 -48.76 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -61.96 -18.49 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 67' ' ' ARG . 69.2 t -84.99 -39.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -80.0 -48.78 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -49.3 -48.95 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.45 -35.88 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -73.33 -42.62 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -67.81 -34.63 77.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -55.62 -35.19 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 89.2 mtt180 -63.19 -34.84 78.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.681 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -66.72 -50.61 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.22 -41.36 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.0 mt -56.52 -61.21 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 13.2 mtp-105 -45.31 -57.39 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -57.15 -64.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 85' ' ' LYS . 65.5 m-80 -64.78 177.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 84' ' ' ASN . 7.6 ptmt 32.62 44.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.2 t -40.71 120.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -87.96 -59.37 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.1 ptp -69.34 150.08 47.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.1 t -130.34 107.37 9.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -90.23 84.85 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.905 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -142.68 131.69 23.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.4 65.19 0.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -160.99 154.65 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -157.54 160.85 38.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.53 -60.49 0.39 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.03 94.31 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.71 148.45 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.056 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -90.98 95.95 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -94.97 83.87 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -86.15 79.24 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.7 p -128.34 85.34 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mp -129.32 -57.64 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -61.45 -38.72 88.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -45.59 -52.26 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -50.27 -35.99 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -74.1 -55.19 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.02 -33.87 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' OE1' ' NE ' ' A' ' 51' ' ' ARG . 6.1 mm-40 -51.61 -28.46 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.84 55.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.3 mt -69.6 -15.82 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.23 -118.47 11.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.28 -17.55 29.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.431 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.3 mmm -86.45 -10.29 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -36.1 123.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.7 p -82.49 17.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -121.88 158.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.808 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.61 -58.71 3.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.796 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.8 Cg_endo -69.78 -50.98 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 19' ' ' GLU . 6.9 t -57.01 -16.01 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 26.0 tp -94.26 -49.97 5.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -46.85 -54.51 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.556 HG21 HG12 ' A' ' 55' ' ' ILE . 3.3 p -58.3 -55.16 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 68.7 m-20 -40.53 -35.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.46 -64.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 6.6 m120 -49.81 -54.6 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -106.04 89.07 3.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.8 Cg_endo -69.78 -36.89 9.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.05 14.89 16.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.666 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.3 tp -42.15 -48.49 4.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.42 -44.27 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.63 -58.76 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.49 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 4.3 mp0 -50.3 -41.24 50.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.538 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 4.8 m-85 -134.96 93.81 16.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.677 0.751 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.73 -41.57 4.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.39 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.55 115.01 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 49.5 t-105 -46.83 -58.26 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -40.76 -30.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -94.16 -34.45 12.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HD2' HD23 ' A' ' 41' ' ' LEU . 35.4 ttp180 -68.14 -53.19 26.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.0 p -46.79 -43.15 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' N ' HG13 ' A' ' 52' ' ' VAL . 36.0 mttm -55.63 -35.93 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.538 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 79.5 mm-40 -67.56 -61.8 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.556 HG12 HG21 ' A' ' 34' ' ' THR . 61.5 mt -37.5 -34.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -62.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.548 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 5.3 ptpt -53.23 -50.7 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.548 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 27.8 mt -54.76 -47.0 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.808 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.4 t-105 -63.01 -42.63 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 59.3 mtt-85 -62.86 -39.66 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -56.59 -43.33 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.11 53.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -88.05 153.93 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -43.35 -54.18 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -50.06 -30.12 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -78.73 -37.11 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.2 mtt180 -79.69 -13.66 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.742 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.65 -58.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -59.17 -17.59 28.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 67' ' ' ARG . 74.9 t -85.22 -37.19 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -79.84 -49.59 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -48.39 -47.9 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.28 -38.87 55.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -70.63 -46.72 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.89 -35.2 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.17 -35.56 71.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -62.63 -36.32 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.799 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -64.41 -51.11 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.9 -42.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' ARG . 31.2 mt -67.37 -53.8 26.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 81' ' ' LEU . 6.8 ttt85 -36.12 -59.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.799 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.7 mp -52.78 -47.15 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -91.14 82.74 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -171.67 124.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -38.41 101.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -40.24 139.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.4 164.67 19.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -121.71 88.09 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.7 m120 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -147.08 149.95 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -58.59 -49.46 77.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.0 137.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -110.74 115.51 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -129.8 142.69 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.74 159.12 29.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -173.27 154.68 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.52 111.73 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -168.43 137.69 2.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -41.67 157.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.7 m -150.74 164.53 35.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 p 54.31 54.79 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 14' ' ' LEU . 1.5 mp -98.65 -60.69 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -43.93 -42.52 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CD2' HG22 ' A' ' 31' ' ' VAL . 16.4 m0 -47.4 -51.54 19.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.85 -26.16 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -86.99 -48.96 7.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' HG11 ' A' ' 31' ' ' VAL . 2.9 mm-40 -64.47 -23.81 67.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG2' HG13 ' A' ' 31' ' ' VAL . 11.3 mm-40 -63.07 -22.93 67.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.42 -30.65 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 17.3 mt -71.37 -15.88 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 54.12 -114.47 4.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.0 -11.15 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.6 mmm -95.32 -11.71 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -35.43 125.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.441 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 60.5 p -81.82 17.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.775 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -123.92 157.9 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.75 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -71.91 -58.46 3.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.775 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 20' ' ' GLU . 6.5 t -56.68 -16.03 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.94 HD21 ' HE2' ' A' ' 73' ' ' LYS . 15.0 tp -92.53 -48.93 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -49.88 -57.17 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.605 HG21 ' HA ' ' A' ' 55' ' ' ILE . 14.0 p -56.13 -48.93 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.457 HD21 ' HA ' ' A' ' 35' ' ' ASN . 3.1 m120 -44.18 -34.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.64 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.78 -54.0 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' THR . 46.1 m-85 -106.58 86.85 2.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.69 14.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 50.7 m-80 -90.45 9.56 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' ASN . 13.6 tp -37.02 -46.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -52.57 -58.61 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -55.91 -60.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -43.25 -42.71 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 21.3 m-85 -134.95 94.25 16.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.0 Cg_endo -69.74 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -66.25 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' ARG . 59.3 t-105 -47.43 -62.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.66 -27.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' TRP . 93.7 m -95.68 -32.64 12.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 51.4 ttp180 -71.37 -51.04 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.1 p -46.11 -46.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' N ' HG13 ' A' ' 52' ' ' VAL . 67.0 mttt -55.32 -50.64 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 82.8 mm-40 -52.87 -34.62 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.605 ' HA ' HG21 ' A' ' 34' ' ' THR . 96.6 mt -65.4 -40.84 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.5 -59.24 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 15.6 ptmt -46.57 -47.89 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 27.8 mt -65.66 -36.64 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.713 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 72.3 t-105 -61.94 -52.39 64.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.9 mtm-85 -58.9 -48.76 80.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -44.86 -45.15 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 127.49 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 t -60.57 151.59 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -48.31 -49.73 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -55.18 -22.71 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.72 -37.36 35.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.959 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.1 mtp180 -78.91 -19.14 52.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.46 -58.44 0.52 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.0 Cg_endo -69.73 -51.14 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.8 -15.87 23.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.1 t -83.73 -40.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -79.64 -42.62 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.94 ' HE2' HD21 ' A' ' 32' ' ' LEU . 3.3 ttpt -51.95 -46.05 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -39.25 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -70.77 -44.86 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.09 -36.86 85.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -55.91 -35.79 66.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 74.2 mtt180 -63.49 -40.4 96.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.638 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -61.18 -51.81 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -38.1 -50.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.98 -55.75 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -44.55 -48.52 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.8 mp -68.12 -54.35 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -81.48 78.53 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -105.47 132.41 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 86' ' ' VAL . 8.5 p -89.95 123.06 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -153.12 126.7 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -23.37 24.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 p -123.08 144.88 49.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -157.7 136.5 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 p -148.61 147.25 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.59 69.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.536 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 p -132.24 153.7 50.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.831 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.5 p -131.72 96.08 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.85 -164.84 27.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -100.37 123.78 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.07 41.35 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -72.27 129.47 38.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -88.53 129.08 35.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 m -162.27 161.48 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -91.67 -38.9 12.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 mt -42.61 -28.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -80.67 -50.66 9.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -43.02 -46.3 5.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -51.06 -37.95 48.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.38 -49.15 65.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.837 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 mm-40 -66.54 -24.62 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.12 -26.41 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 19' ' ' GLU . 6.6 mt -79.7 -16.24 56.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.39 -112.99 2.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.82 -19.12 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 mtp -93.97 12.25 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.5 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.403 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 35.6 p -84.54 25.96 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.8 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -132.37 156.16 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.765 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.71 -57.76 5.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.54 0.686 . . . . 0.0 111.08 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.8 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.77 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 31' ' ' VAL . 6.0 t -56.9 -15.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' HD3' ' A' ' 73' ' ' LYS . 18.4 tp -94.15 -50.76 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -47.32 -53.6 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' PHE . 18.1 p -61.53 -53.17 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 2.0 m120 -41.51 -39.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -89.25 -64.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -49.67 -54.51 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 87.1 m-85 -106.47 87.54 2.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.38 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -80.68 8.88 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.532 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.12 -59.08 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -40.37 -43.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.54 -62.16 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 23.2 mt-10 -44.94 -44.01 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.539 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 2.7 m-85 -134.84 93.77 17.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.2 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.15 108.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' THR . 53.3 t-105 -43.65 -61.93 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -41.27 -25.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' TRP . 38.1 m -96.13 -38.84 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.532 ' HD2' HD23 ' A' ' 41' ' ' LEU . 5.3 ttp-105 -66.9 -51.87 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG13 ' N ' ' A' ' 53' ' ' LYS . 7.9 p -39.72 -50.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' N ' HG13 ' A' ' 52' ' ' VAL . 24.1 mttp -50.73 -49.02 58.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.539 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 66.1 mm-40 -51.44 -57.51 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.3 mt -44.53 -34.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 53' ' ' LYS . . . -65.79 -54.32 28.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 18.5 pttt -62.76 -49.15 76.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 50.9 mt -57.86 -34.51 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.765 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.0 t-105 -71.86 -51.0 24.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.26 -43.23 96.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -49.26 -43.72 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 148.79 43.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -81.73 150.31 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.83 -44.53 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.2 -23.97 64.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -82.22 -34.85 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.5 mtp180 -79.45 -18.86 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.7 -57.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.79 -51.27 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.57 -16.67 26.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.9 t -84.32 -39.85 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -79.3 -46.51 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HD3' HD21 ' A' ' 32' ' ' LEU . 40.1 tttp -47.63 -50.35 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.65 52.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -67.18 -44.04 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.1 -37.68 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.05 -35.11 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 52.6 mtp180 -64.6 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.38 -44.84 65.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.8 mt -50.11 -56.73 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -50.27 -26.35 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.34 -53.81 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -97.54 178.31 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 38.15 46.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.67 147.26 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -89.58 139.81 30.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.89 147.51 45.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -151.15 162.68 40.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -104.38 -48.86 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t 61.67 44.22 9.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.77 169.0 32.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -54.92 -54.28 44.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 m -47.24 100.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.98 59.68 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -104.1 122.42 45.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.15 130.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -63.14 -49.23 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -132.76 137.56 46.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -141.49 130.92 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.5 p -83.9 36.87 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.8 mt -102.53 -53.3 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.69 -38.55 75.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -45.99 -43.46 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.23 -30.25 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -77.33 -50.42 12.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.2 mm-40 -63.03 -28.72 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.575 ' HG2' HG13 ' A' ' 31' ' ' VAL . 7.6 mm-40 -57.0 -29.73 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.42 -32.74 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 19' ' ' GLU . 17.4 mt -71.16 -15.63 62.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 55.43 -117.44 8.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.18 -14.83 19.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.451 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.7 mmm -90.76 -6.39 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -40.29 124.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -82.63 14.32 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.766 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -119.04 158.18 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -71.62 -58.92 3.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.766 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.76 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG13 ' HG2' ' A' ' 20' ' ' GLU . 5.2 t -55.71 -21.2 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 18.7 tp -87.99 -49.2 7.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -48.24 -58.89 3.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 p -54.75 -50.9 67.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 70.9 m-20 -43.03 -35.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.3 mt -89.61 -64.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.92 -54.12 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -110.58 86.64 5.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -41.22 4.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.638 2.226 . . . . 0.0 112.378 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -86.76 13.48 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.678 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.5 tp -39.98 -58.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -37.91 -40.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.19 -64.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.541 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.84 -43.38 4.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.576 ' CD1' ' HG3' ' A' ' 54' ' ' GLN . 3.8 m-85 -134.58 93.76 18.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.5 Cg_endo -69.76 -42.25 3.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.92 110.14 6.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' THR . 54.0 t-105 -43.35 -63.76 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.79 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.1 m -97.25 -35.82 10.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.678 ' HD2' HD23 ' A' ' 41' ' ' LEU . 4.6 ttp-105 -70.46 -50.75 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.9 p -44.66 -39.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' N ' HG13 ' A' ' 52' ' ' VAL . 41.7 mttm -62.83 -33.29 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.576 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 98.2 mm-40 -69.24 -34.18 74.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.81 -38.0 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.01 5.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.7 ptmt -52.85 -48.55 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 39.9 mt -64.25 -34.87 79.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.678 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 67.9 t-105 -64.29 -53.88 42.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.0 mtp-105 -62.03 -41.88 98.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -47.5 -38.55 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.7 137.71 49.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 t -66.93 155.1 39.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -51.54 -47.92 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.87 -11.7 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -88.41 -36.87 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.954 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.5 mtp180 -79.24 -18.31 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.01 -58.29 0.6 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -59.83 -15.85 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.6 t -84.27 -42.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.02 -43.9 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -50.31 -49.94 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.06 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -71.16 -41.66 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -68.19 -35.91 78.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -54.36 -35.31 62.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -64.64 -33.54 76.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.661 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -67.37 -51.11 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -38.6 -46.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.21 -52.19 64.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -47.63 -54.3 12.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.2 mp -51.66 -35.12 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.92 -16.43 47.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -133.97 99.96 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.7 p -163.47 151.0 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 53.63 33.7 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 tpt -90.05 -53.87 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.4 m -88.12 48.26 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.9 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -116.27 111.16 19.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -105.23 170.74 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.72 83.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -120.63 160.08 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -107.47 -50.22 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.41 145.46 16.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.86 134.93 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.15 -43.5 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -115.47 150.6 36.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -82.02 112.7 19.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t -116.57 160.09 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -83.68 34.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -102.21 -59.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -54.86 -37.28 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -45.05 -60.25 2.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.13 -38.0 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -70.68 -42.72 70.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -70.4 -19.54 63.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG2' HG13 ' A' ' 31' ' ' VAL . 12.0 mm-40 -65.89 -20.98 66.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.09 -31.75 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.88 -20.8 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 61.53 -121.64 26.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.12 -11.15 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 26' ' ' ALA . 4.2 mtp -91.38 -16.7 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -33.62 121.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -78.08 8.79 4.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.894 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.5 t -110.4 157.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.56 -59.18 2.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.565 0.698 . . . . 0.0 111.035 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.894 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.8 Cg_endo -69.68 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG13 ' HG2' ' A' ' 20' ' ' GLU . 2.8 t -58.41 -13.69 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 17.7 tp -94.21 -49.41 5.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -51.35 -54.42 26.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 55' ' ' ILE . 22.9 p -57.88 -43.64 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 31.5 m-20 -52.1 -30.31 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.43 -53.45 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.24 -55.47 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 55.2 m-85 -105.5 90.73 4.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 38' ' ' PHE . 54.3 Cg_endo -69.74 -44.66 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . 9.9 m120 -82.95 8.4 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.3 tp -37.83 -52.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.48 -62.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 11.4 mt-10 -38.37 -41.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 4.3 m-85 -134.97 93.62 17.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.8 -44.12 2.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.17 108.12 3.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ARG . 50.4 t-105 -44.86 -62.86 1.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -40.44 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' TRP . 97.5 m -93.88 -35.56 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 41' ' ' LEU . 2.4 ttp-105 -70.6 -49.84 43.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.83 -25.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -76.15 -44.58 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 93.5 mm-40 -58.79 -32.15 69.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' THR . 80.4 mt -69.1 -34.41 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.85 -50.08 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -60.1 -49.22 78.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 16.3 mt -63.27 -35.1 79.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 69.0 t-105 -63.55 -55.51 23.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -59.6 -39.75 85.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -49.55 -39.52 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 138.05 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -67.19 151.48 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.41 -49.11 25.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.38 -22.98 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -77.14 -35.16 56.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.938 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.0 mtp180 -80.17 -16.4 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.22 -57.36 1.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -48.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -62.6 -16.62 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.5 t -86.35 -37.71 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -81.81 -43.48 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.14 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HA ' ' NH1' ' A' ' 78' ' ' ARG . 15.2 mtp85 -60.93 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -57.86 -39.72 78.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -52.67 -35.53 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 75' ' ' ARG . 82.3 mtm-85 -60.67 -39.67 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.76 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.422 ' O ' ' ND2' ' A' ' 84' ' ' ASN . . . -40.32 -45.85 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.1 mt -64.98 -51.71 60.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' C ' ' HD2' ' A' ' 82' ' ' ARG . 3.8 tmm_? -52.9 -43.24 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.27 -56.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 80' ' ' ALA . 69.7 m-80 -61.62 -175.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -118.79 18.54 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.0 t -109.03 98.69 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.498 ' H ' ' NE2' ' A' ' 87' ' ' GLN . 2.0 pm0 -142.36 158.62 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -163.59 134.28 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.6 t -68.52 -51.16 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -160.33 170.95 20.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.825 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 t -42.29 130.45 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.87 -95.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -108.05 120.54 42.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 m -94.33 176.4 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.88 126.88 7.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -139.18 174.38 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.0 -62.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -84.63 144.8 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -50.57 170.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.3 p -171.31 163.26 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -48.37 -37.4 16.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.4 mt -43.31 -32.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -85.82 -36.2 20.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -52.8 -57.56 9.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.87 -40.32 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.82 -51.84 66.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.586 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.2 mm-40 -61.35 -37.84 84.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.538 ' HG2' HG13 ' A' ' 31' ' ' VAL . 14.1 mm-40 -46.88 -31.92 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -33.47 65.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 19' ' ' GLU . 15.8 mt -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.39 -116.08 8.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.48 -9.5 26.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.2 mtp -94.82 -9.35 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.35 125.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.501 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 51.3 p -82.52 6.6 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.812 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -108.82 155.72 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.747 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.97 -57.97 4.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.76 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.538 HG13 ' HG2' ' A' ' 20' ' ' GLU . 4.2 t -56.99 -15.01 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -94.13 -52.54 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -46.35 -53.57 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.442 HG21 HG12 ' A' ' 55' ' ' ILE . 19.1 p -60.89 -44.92 96.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -48.31 -34.52 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -93.41 -64.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -50.26 -51.05 47.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -106.47 87.82 2.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.48 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.727 2.285 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -86.58 14.89 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.7 tp -43.86 -56.34 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 18.5 ptmt -43.66 -44.21 6.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 14.9 mt-10 -62.37 -58.51 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.09 -40.0 21.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 4.6 m-85 -133.87 93.36 20.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.4 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.04 110.97 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.8 t-105 -44.09 -60.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.73 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' TRP . 49.1 m -95.24 -38.65 10.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' A' ' 41' ' ' LEU . 19.1 ttp180 -65.92 -53.51 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 53' ' ' LYS . 11.7 p -46.28 -44.97 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' N ' HG13 ' A' ' 52' ' ' VAL . 38.9 mttm -55.61 -40.82 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.555 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 21.6 mm100 -62.79 -60.51 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 34' ' ' THR . 72.3 mt -39.11 -32.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -56.76 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.52 -48.46 81.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.7 mt -57.14 -35.48 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.747 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 74.5 t-105 -74.32 -46.07 43.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 24.4 mtp180 -59.78 -40.23 87.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.66 -42.86 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.88 138.14 58.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -80.15 156.97 26.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.45 -47.42 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -58.17 -24.89 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.26 -37.6 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 71' ' ' VAL . 31.1 mtt180 -79.39 -16.06 56.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.7 -58.62 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.77 -51.23 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -59.54 -16.44 24.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 67' ' ' ARG . 79.6 t -85.81 -39.08 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -79.23 -47.18 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -48.67 -51.37 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 27' ' ' THR . . . -49.06 -38.53 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -70.18 -45.03 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.3 -37.19 84.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -55.57 -37.53 68.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 40.5 mtp180 -59.46 -39.87 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.739 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -59.78 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.2 -46.22 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.72 -55.24 28.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 12.2 ttm105 -41.36 -51.8 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.739 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -65.49 -56.74 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -65.39 88.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -142.62 158.14 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.3 t -46.95 111.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -57.39 147.05 27.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.4 tpt 62.42 48.78 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.9 m -163.86 171.06 15.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -65.35 154.83 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -86.67 -57.01 3.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.91 -162.71 28.34 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -131.48 152.55 50.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -50.82 152.15 2.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.47 -135.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -161.11 114.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.71 173.1 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -112.41 83.46 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.74 153.69 43.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.794 ' HB2' HD11 ' A' ' 14' ' ' LEU . 9.1 m -101.92 26.37 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 p 51.62 51.07 17.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 12' ' ' SER . 0.7 OUTLIER -95.42 -55.29 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -44.74 -40.24 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -62.48 -59.47 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -45.59 -32.3 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.18 -45.81 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.672 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -67.2 -23.18 65.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 8.0 mm-40 -59.97 -19.33 51.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 -40.4 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' CD ' ' A' ' 19' ' ' GLU . 17.7 mt -60.0 -26.29 65.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 66.29 -119.32 12.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.2 -15.12 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.3 mtp -89.87 -8.22 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -40.52 120.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 50.3 p -76.6 5.31 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.89 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.5 t -106.79 158.16 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -73.07 -59.11 2.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.89 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.76 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 31' ' ' VAL . 3.2 t -55.96 -18.24 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 19.6 tp -90.44 -50.24 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 5.3 t80 -49.97 -55.82 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 p -58.13 -42.24 85.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.46 HD22 ' HB2' ' A' ' 26' ' ' ALA . 29.7 m-20 -52.02 -33.59 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -90.4 -60.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 6.6 m120 -55.45 -50.86 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -105.34 90.99 4.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.5 Cg_endo -69.75 -40.49 5.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.01 19.57 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.37 -47.3 6.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -51.68 -51.86 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.91 -57.96 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 mp0 -48.77 -41.28 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 16.3 m-85 -135.0 93.65 17.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.69 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.91 107.66 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 51.1 t-105 -44.4 -63.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -42.01 -25.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' TRP . 74.1 m -94.16 -36.6 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -71.49 -51.76 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 55' ' ' ILE . 9.1 p -41.25 -29.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.16 -45.27 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 94.4 mm-40 -59.2 -31.22 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.5 mt -68.51 -34.77 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 7.5 ptmm? -66.67 -49.28 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 38.2 mt -63.67 -25.89 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.685 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.0 t-105 -79.89 -45.48 18.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.12 -49.67 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -52.66 -28.49 21.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.01 131.56 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 p -62.5 149.07 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -49.41 -47.17 48.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -58.76 -21.32 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.82 -39.12 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 15.1 mtp180 -77.72 -22.74 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.31 -59.09 0.4 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -51.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 53.2 m-85 -60.17 -14.59 18.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 88.8 t -86.18 -37.83 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -83.18 -43.98 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -54.02 -44.01 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 27' ' ' THR . . . -54.24 -40.02 67.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -67.6 -45.2 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -62.79 -38.09 89.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -53.84 -34.92 60.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 mtm105 -61.7 -40.91 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.632 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -59.88 -52.14 66.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -37.21 -46.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.13 -56.07 15.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -42.18 -43.83 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.7 mp -73.1 -56.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.8 p30 43.24 48.86 5.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt 45.4 49.95 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 p -85.12 -14.38 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -89.52 44.82 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.2 mmt -85.27 -46.21 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.6 t -41.88 -38.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -106.51 116.3 31.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -118.5 131.25 56.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.26 178.57 47.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -70.37 106.7 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -127.36 168.01 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.32 170.09 13.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' ALA . 46.6 m-80 -62.06 87.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' ASN . . . -37.53 -51.52 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -82.28 101.85 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -94.53 174.51 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 m -85.91 -177.55 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 14' ' ' LEU . 68.1 p -45.48 -39.21 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' THR . 21.1 mt -35.68 -35.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' THR . 2.9 tmtm? -63.27 -56.7 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . 32.4 m0 -39.68 -55.74 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.5 tp10 -37.03 -39.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -64.04 -51.93 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -63.15 -31.98 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.636 ' OE2' HD11 ' A' ' 55' ' ' ILE . 3.7 mm-40 -53.0 -27.35 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.83 -32.86 40.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 19' ' ' GLU . 10.1 mt -73.86 -15.23 61.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.86 -116.23 5.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.29 -17.44 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.479 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 27.0 mmm -87.73 -9.83 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -40.99 122.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.415 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 59.4 p -83.46 24.27 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.816 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -124.45 157.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.795 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.93 -58.5 3.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.816 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.0 Cg_endo -69.73 -51.48 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 31' ' ' VAL . 4.3 t -56.1 -19.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.3 tp -89.85 -55.05 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -43.72 -55.12 4.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.565 HG21 ' HA ' ' A' ' 55' ' ' ILE . 12.5 p -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.432 HD21 ' HA ' ' A' ' 35' ' ' ASN . 1.9 m120 -49.64 -34.04 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -91.68 -65.22 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -50.96 -47.83 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 58' ' ' LEU . 86.2 m-85 -106.85 88.25 3.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -46.34 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -85.75 10.55 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' HD2' ' A' ' 51' ' ' ARG . 8.2 tp -38.25 -48.49 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG2' ' NH1' ' A' ' 51' ' ' ARG . 23.6 mtpp -46.84 -54.79 9.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.59 -59.53 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 13.6 mm-40 -45.01 -41.94 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.617 ' CE2' ' CD ' ' A' ' 54' ' ' GLN . 8.6 m-85 -134.39 93.6 18.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.6 Cg_endo -69.77 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.2 114.03 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 34.9 t-105 -44.76 -63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.69 -27.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' TRP . 90.5 m -91.25 -40.86 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' HD23 ' A' ' 41' ' ' LEU . 28.2 ttp180 -68.32 -53.66 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.7 p -44.1 -47.28 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' N ' HG13 ' A' ' 52' ' ' VAL . 82.6 mttt -51.62 -40.82 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.617 ' CD ' ' CE2' ' A' ' 45' ' ' PHE . 57.0 mm-40 -62.13 -62.12 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.636 HD11 ' OE2' ' A' ' 20' ' ' GLU . 97.2 mt -36.37 -38.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.27 -53.97 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.545 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.6 ptpt -62.06 -50.63 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 24.3 mt -58.22 -25.24 61.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.795 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 70.5 t-105 -84.32 -42.83 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.451 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 64.4 mtt-85 -59.05 -49.21 78.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 8.1 ptmt -49.85 -34.76 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -67.05 136.14 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.2 m -82.15 153.78 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -44.93 -49.86 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -55.03 -28.72 54.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.08 -37.58 33.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 71' ' ' VAL . 37.7 mtt180 -79.36 -17.16 55.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.99 -58.49 0.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.73 . . . . 0.0 111.078 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.2 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.69 -16.33 26.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.4 t -86.39 -36.83 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -81.15 -45.8 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -50.44 -49.16 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.45 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -67.05 -52.22 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -55.71 -38.21 69.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -54.13 -35.94 62.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 95.3 mtt180 -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -59.59 -52.47 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -37.12 -44.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -70.66 -46.01 64.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -47.65 -49.95 25.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.2 mp -60.13 -51.03 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.13 -41.97 76.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -70.92 139.99 50.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 86' ' ' VAL . 3.6 m -74.75 126.93 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.18 168.06 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.5 mmt -142.22 158.73 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.6 t -130.06 137.88 50.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -170.66 124.29 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -50.62 130.05 23.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.6 46.43 3.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -129.78 110.65 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -98.23 149.64 22.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.45 -133.7 11.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.478 ' ND2' ' O ' ' A' ' 8' ' ' ASN . 0.6 OUTLIER -68.08 103.83 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.833 -179.857 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.97 131.77 35.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -92.95 45.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 176.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.424 ' HB3' HD11 ' A' ' 14' ' ' LEU . 5.6 t -155.65 174.39 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.838 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 52' ' ' VAL . 70.4 p -98.26 100.3 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 12' ' ' SER . 0.8 OUTLIER -127.09 -32.04 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -77.87 -37.61 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -51.87 -61.17 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -40.01 -41.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -68.48 -47.51 66.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -66.14 -22.91 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 8.4 mm-40 -61.09 -28.99 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.66 -33.15 53.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 19' ' ' GLU . 12.9 mt -69.43 -17.2 63.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 55.31 -117.59 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.65 -16.31 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.424 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.8 mmm -88.83 -10.43 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.29 124.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 72.5 p -82.32 9.89 8.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.856 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.1 t -112.78 154.75 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.772 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -69.99 -57.53 6.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.856 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.4 Cg_endo -69.79 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.7 t -58.86 -14.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 tp -94.2 -49.82 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -49.98 -54.09 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 55' ' ' ILE . 12.2 p -58.46 -45.25 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 2.0 m120 -48.17 -42.44 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.59 -65.09 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -50.29 -52.5 35.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 66.1 m-85 -107.18 84.34 1.66 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -38.69 7.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.42 13.8 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.666 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.67 -56.47 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -41.34 -42.26 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.72 -59.74 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 27.1 mt-10 -49.99 -41.18 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 2.4 m-85 -134.96 93.56 17.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.74 -47.69 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.78 115.8 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' ARG . 61.2 t-105 -48.57 -60.44 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -42.32 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' TRP . 94.3 m -99.68 -28.63 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HD2' HD23 ' A' ' 41' ' ' LEU . 48.1 ttp180 -77.05 -50.24 13.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.6 p -44.39 -44.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' N ' HG13 ' A' ' 52' ' ' VAL . 63.3 mttt -54.39 -38.17 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 74.7 mm-40 -67.99 -59.42 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.525 ' HA ' HG21 ' A' ' 34' ' ' THR . 81.9 mt -36.3 -34.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -76.0 -50.83 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -58.94 -37.47 76.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 34.7 mt -76.31 -27.28 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.772 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 72.9 t-105 -78.85 -41.32 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -64.86 -51.51 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -51.99 -22.87 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 134.75 46.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 m -70.36 154.46 41.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.75 -10.99 31.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -90.01 -37.53 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.958 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.9 mtp180 -78.68 -19.81 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.79 -58.66 0.45 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.1 Cg_endo -69.8 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -60.53 -14.36 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 67' ' ' ARG . 84.8 t -86.83 -38.82 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -82.9 -43.33 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -52.89 -47.37 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.48 59.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.19 -41.17 94.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.03 -36.36 83.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.41 -34.98 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.478 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 73.8 mtp180 -62.75 -35.48 79.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.796 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -64.81 -50.47 66.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.14 -46.21 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.9 -50.99 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -41.18 -55.21 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.796 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.8 mp -60.8 -43.35 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -92.59 94.23 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -60.28 98.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.8 m -118.36 168.19 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -71.62 97.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.9 ptm -145.41 159.94 42.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -136.79 129.77 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.1 m120 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -79.27 87.16 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -155.83 172.4 18.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 108.96 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -124.77 150.73 45.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 m -79.71 -52.79 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.03 109.32 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.41 113.81 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.55 159.6 16.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -82.04 160.14 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -70.93 87.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.802 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -111.4 167.02 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.0 p -93.27 -27.72 16.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.611 ' H ' HD12 ' A' ' 14' ' ' LEU . 5.5 mp -51.82 -17.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -96.81 -40.15 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -50.86 -51.31 52.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -48.33 -31.92 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -75.06 -50.48 16.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -62.2 -29.0 70.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.6 -27.41 39.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -38.43 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 19' ' ' GLU . 11.1 mt -68.72 -14.92 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.02 -115.53 4.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.12 -16.99 36.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.2 mmm -89.19 -3.3 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.9 124.57 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -82.11 17.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -116.93 156.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.1 -58.71 3.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.799 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.0 Cg_endo -69.78 -51.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 3.5 t -56.59 -17.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.0 tp -90.91 -47.48 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.408 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 9.8 t80 -52.05 -56.8 12.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' PHE . 11.4 p -56.99 -47.35 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 74.6 m-20 -46.72 -35.26 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.4 mt -91.41 -64.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -54.02 -51.88 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 89.0 m-85 -109.12 84.4 2.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -43.67 2.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.17 13.53 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.8 tp -45.44 -49.6 13.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -47.92 -39.91 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.71 -60.89 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 18.3 mt-10 -45.43 -40.47 8.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.554 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 13.5 m-85 -134.63 93.81 17.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.9 Cg_endo -69.71 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -67.61 110.64 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' THR . 48.3 t-105 -44.11 -62.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.52 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.8 m -97.44 -37.11 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.557 ' HD2' HD23 ' A' ' 41' ' ' LEU . 2.8 ttp-105 -68.17 -51.27 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -43.97 -41.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' N ' HG13 ' A' ' 52' ' ' VAL . 36.0 mttm -60.14 -38.13 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.554 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 96.5 mm-40 -66.46 -30.7 71.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.3 mt -69.16 -36.81 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.62 -51.32 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.5 ptmm? -58.45 -49.56 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 31.8 mt -64.3 -29.25 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 63.9 t-105 -67.44 -56.86 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -54.29 -51.37 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -38.9 -42.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.25 120.33 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -56.88 155.33 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.42 -44.36 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -59.21 -25.23 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.78 -33.83 40.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.852 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.5 mtp-105 -78.97 -17.72 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.98 -58.63 1.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.8 -51.6 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 47.7 m-85 -59.42 -17.56 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 67' ' ' ARG . 70.0 t -88.17 -35.76 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -81.44 -48.83 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -50.66 -50.98 53.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.81 -46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -64.46 -48.13 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.97 -37.47 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -56.49 -35.09 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -62.51 -41.16 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.65 93.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.42 -48.05 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.0 mt -59.25 -38.27 79.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -22.27 66.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.6 mm -66.36 -63.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -86.49 169.57 12.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.98 113.01 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.4 m -114.02 156.99 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -79.93 81.62 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.427 ' SD ' ' C ' ' A' ' 88' ' ' MET . 9.8 tmm? -131.04 107.81 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -65.0 117.77 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.937 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -77.21 168.16 20.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -143.75 176.26 9.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.8 -171.02 23.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -154.42 174.79 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -96.71 174.92 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 153.65 25.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -120.85 164.95 15.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.6 90.38 7.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -153.89 159.9 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -85.87 99.52 11.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.5 p -172.3 177.89 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -55.71 -35.89 66.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -54.77 -23.32 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -85.14 -41.82 15.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.484 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 37.5 m0 -51.72 -37.48 51.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.81 -28.58 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -82.21 -60.01 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 27' ' ' THR . 3.5 mm-40 -52.64 -32.27 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.589 ' OE2' HD11 ' A' ' 55' ' ' ILE . 5.1 mt-10 -55.55 -37.74 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.75 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 19' ' ' GLU . 19.2 mt -76.66 -12.31 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.88 -119.23 8.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.99 -16.48 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 32.9 mmm -93.99 12.92 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -58.09 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 19' ' ' GLU . 73.2 p -78.69 10.91 2.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.797 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -118.77 157.35 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.858 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.0 -58.33 4.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.797 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.67 -50.63 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 5.8 t -56.69 -16.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.682 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.3 tp -94.35 -53.6 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -44.24 -51.53 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' PHE . 23.0 p -61.91 -50.49 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.414 HD21 ' HA ' ' A' ' 35' ' ' ASN . 4.8 m120 -42.94 -36.49 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.5 mt -92.68 -62.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.66 -53.38 47.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 94.5 m-85 -106.95 86.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -83.24 11.17 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.694 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.53 -53.75 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -44.34 -39.46 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.55 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 1.9 mp0 -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.508 ' CE1' ' HB3' ' A' ' 44' ' ' GLU . 3.4 m-85 -134.93 94.13 16.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.3 Cg_endo -69.73 -44.38 2.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.87 112.55 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.47 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 34.8 t-105 -43.03 -62.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -41.01 -28.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.1 m -91.62 -42.17 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.694 ' HD2' HD23 ' A' ' 41' ' ' LEU . 13.6 ttp-105 -65.53 -53.98 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.5 p -43.9 -48.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.549 ' N ' HG13 ' A' ' 52' ' ' VAL . 52.5 mttm -53.86 -37.32 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 76.5 mm-40 -66.44 -62.04 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.589 HD11 ' OE2' ' A' ' 20' ' ' GLU . 80.3 mt -36.23 -33.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -68.71 -62.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.33 -38.15 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 39.4 mt -70.06 -29.42 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.858 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 55.5 t-105 -77.25 -35.86 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -62.69 -54.98 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -42.62 -47.16 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.11 113.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 65' ' ' GLN . 43.4 m -53.28 150.91 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -50.52 -44.34 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' A' ' 63' ' ' SER . 18.9 pm0 -65.12 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.78 -35.56 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.7 mtp180 -79.34 -17.48 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.06 -58.5 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.617 0.723 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.77 -51.45 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -59.31 -16.47 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' ARG . 96.3 t -83.88 -42.85 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -78.52 -43.43 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -49.19 -49.7 41.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.32 -44.68 62.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.63 -45.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.36 -31.8 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 78' ' ' ARG . 10.8 mtp-105 -64.25 -34.91 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.751 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -67.85 -50.11 58.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.18 -42.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.2 -53.62 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -40.77 -61.84 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.4 mp -45.23 -64.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' LYS . 70.2 m-80 -43.56 110.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 84' ' ' ASN . 17.3 pttp -34.94 150.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 p -171.49 143.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -87.61 44.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.4 ttt -91.92 139.08 31.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.2 t -126.21 161.04 28.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -91.87 125.09 36.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -166.25 122.88 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.19 62.91 2.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 p -45.65 116.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -89.18 52.57 2.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.7 -52.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.46 105.84 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 115.65 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -109.18 163.74 13.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -43.3 117.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 t -162.39 -175.43 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.9 p -53.1 -37.3 61.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 mt -50.94 -22.31 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -85.33 -51.13 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 34.8 m0 -40.65 -39.28 1.04 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.978 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -51.33 -44.07 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -59.57 -46.19 89.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.788 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.0 mm-40 -70.48 -31.55 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mt-10 -57.32 -30.06 64.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.3 56.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.5 mt -79.05 -12.49 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 52.53 -117.47 6.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.98 -13.71 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.414 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.0 mmm -96.29 8.15 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -52.02 125.71 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 47.0 p -83.31 17.59 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.791 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -126.4 154.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.869 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.48 -56.8 6.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.791 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.75 -46.89 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.394 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 9.4 t -61.23 -22.5 27.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 29.1 tp -86.74 -53.44 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -43.59 -52.02 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 55' ' ' ILE . 35.4 p -62.28 -44.73 95.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.632 HD22 ' HB2' ' A' ' 26' ' ' ALA . 69.2 m-20 -49.07 -39.92 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -88.47 -65.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 2.4 m-80 -49.24 -53.07 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 78.7 m-85 -106.34 87.27 2.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.9 Cg_endo -69.7 -42.55 3.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.39 12.54 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.55 -55.83 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 15.2 ptpt -42.23 -42.64 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 4.9 mm-40 -61.55 -61.91 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 12.2 mm-40 -45.53 -42.29 10.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CD1' ' HG3' ' A' ' 54' ' ' GLN . 11.4 m-85 -134.79 93.92 17.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.65 -46.43 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.62 110.0 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . 39.7 t-105 -44.46 -62.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.82 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' TRP . 98.7 m -98.23 -33.57 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HD2' HD23 ' A' ' 41' ' ' LEU . 27.1 ttp180 -71.53 -51.07 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 53' ' ' LYS . 13.6 p -40.23 -50.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.6 ' N ' HG13 ' A' ' 52' ' ' VAL . 40.6 mttt -51.26 -37.41 47.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.569 ' HG3' ' CD1' ' A' ' 45' ' ' PHE . 93.4 mm-40 -65.45 -35.39 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.416 ' HA ' HG21 ' A' ' 34' ' ' THR . 77.7 mt -62.77 -36.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.88 -59.4 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 11.7 ptmt -49.57 -48.77 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.587 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 30.6 mt -62.45 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.869 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 76.2 t-105 -58.75 -43.77 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 31.2 mtp180 -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -55.97 -40.25 72.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -61.68 137.69 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 t -78.62 161.25 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -52.64 -53.54 45.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -52.46 -20.3 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -86.72 -38.21 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.952 ' O ' HG23 ' A' ' 71' ' ' VAL . 47.9 mtt180 -78.28 -21.31 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.57 -58.93 0.51 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.74 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -60.05 -15.45 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 67' ' ' ARG . 96.0 t -84.95 -38.64 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -83.62 -45.87 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -49.43 -43.49 44.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.03 -44.58 78.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -65.91 -49.77 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -57.19 -38.32 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 28.5 mtm105 -62.15 -33.2 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.51 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.25 -41.98 63.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.0 mt -50.89 -58.3 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.41 -30.04 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.4 mm -63.57 -51.9 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -95.94 104.85 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -74.21 107.54 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.5 m -103.44 38.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -165.03 151.7 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.3 mmt -78.18 53.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 p -157.39 130.2 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -125.53 92.27 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.365 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -131.37 148.09 52.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 -164.3 30.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -110.62 -48.06 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -156.02 111.43 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.47 -40.94 2.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.6 164.01 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.319 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.78 127.46 48.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -52.96 167.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' CD ' ' O ' ' A' ' 11' ' ' ARG . 2.2 ppt_? -88.86 29.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -62.87 121.79 14.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' LYS . 41.0 p -95.31 -41.06 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.695 ' H ' HD12 ' A' ' 14' ' ' LEU . 4.8 mp -39.64 -27.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -84.73 -55.42 4.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -39.19 -52.88 1.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -45.88 -39.25 8.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -69.57 -58.54 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.848 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.2 mm-40 -54.04 -29.0 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HG2' HG13 ' A' ' 31' ' ' VAL . 20.1 mm-40 -59.37 -22.85 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.04 -28.08 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 19' ' ' GLU . 6.4 mt -75.09 -15.64 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.71 -116.74 8.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.51 -9.59 9.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.7 mmm -95.5 -7.17 38.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -38.02 126.0 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 57.0 p -84.87 15.25 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.791 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -120.62 160.21 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.57 -59.11 2.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.68 . . . . 0.0 111.082 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.791 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.2 Cg_endo -69.77 -51.27 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG13 ' HG2' ' A' ' 20' ' ' GLU . 10.8 t -55.05 -21.29 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 20.2 tp -87.81 -49.4 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -48.01 -58.94 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 2.4 p -53.37 -52.25 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.42 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 54.4 m-20 -42.34 -37.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.95 -64.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 5.6 m-80 -53.04 -54.67 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 93.0 m-85 -106.66 86.69 2.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.5 Cg_endo -69.79 -42.87 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -84.56 12.32 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.648 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.9 tp -44.5 -45.05 9.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.05 -35.31 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 30.4 mm-40 -71.99 -54.79 8.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 19.2 mt-10 -52.84 -38.24 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.566 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 2.1 m-85 -134.86 93.92 17.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.82 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 110.08 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' THR . 47.7 t-105 -44.01 -62.25 1.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -42.55 -23.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' TRP . 72.7 m -95.79 -36.6 11.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.648 ' HD2' HD23 ' A' ' 41' ' ' LEU . 24.1 ttp180 -69.8 -55.29 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.3 p -40.4 -47.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' N ' HG13 ' A' ' 52' ' ' VAL . 29.6 mttm -51.74 -41.33 61.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.566 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 76.7 mm-40 -62.0 -59.32 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.425 HG12 HG21 ' A' ' 34' ' ' THR . 68.4 mt -38.51 -35.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -58.13 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 10.7 pttp -55.79 -50.61 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 22.6 mt -59.01 -36.05 74.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.609 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 71.3 t-105 -65.81 -54.27 29.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -56.94 -43.29 81.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -48.68 -42.63 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.68 123.46 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 m -57.7 151.57 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -47.41 -45.12 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.66 -27.12 62.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.63 -36.77 57.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.956 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.1 mtp180 -78.78 -20.44 49.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.62 -58.28 0.55 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.741 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.71 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -60.11 -15.31 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.4 t -85.61 -37.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -83.33 -41.92 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -52.69 -49.31 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.71 -49.04 29.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 -61.09 -46.94 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.51 -36.55 80.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -57.7 -31.87 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 53.6 mtp180 -68.16 -35.33 77.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.626 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -67.41 -49.84 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.81 -31.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.9 mt -76.91 -51.4 11.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 17.6 ttm105 -50.74 -37.05 39.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -80.44 -39.93 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -104.33 94.52 5.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.27 127.4 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.5 t -72.43 108.99 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -139.95 153.82 47.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.8 tpp -104.49 138.27 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.2 m -144.49 128.81 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -94.13 120.97 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -102.15 169.57 8.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.46 97.42 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -79.11 130.45 35.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.831 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.8 p -170.6 166.04 8.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.72 -97.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m120 43.42 42.12 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.78 98.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -151.22 121.59 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -85.37 94.37 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -124.44 172.45 9.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 p -96.72 -19.3 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.97 -51.52 67.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -62.64 -37.8 87.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.434 ' CD2' HG22 ' A' ' 31' ' ' VAL . 20.0 m0 -52.5 -63.06 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.6 tm-20 -37.2 -42.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -66.11 -47.6 73.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.7 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -66.71 -27.43 67.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HG2' HG13 ' A' ' 31' ' ' VAL . 7.3 mm-40 -58.12 -21.77 48.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.63 21.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.6 mt -68.85 -19.0 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 57.77 -119.54 17.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.08 -14.74 7.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.48 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.7 mmm -87.76 -17.22 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -34.07 118.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 66.1 p -78.09 5.76 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.817 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.3 t -105.24 160.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -74.1 -59.53 1.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.817 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.289 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' A' ' 19' ' ' GLU . 6.2 t -54.97 -19.77 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 15.9 tp -91.21 -48.48 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.408 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 11.5 t80 -49.96 -56.0 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 55' ' ' ILE . 6.6 p -58.88 -42.96 90.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.425 ' CG ' ' HA2' ' A' ' 23' ' ' GLY . 2.3 m120 -48.93 -36.69 17.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -88.97 -65.21 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -50.59 -50.5 53.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 32.9 m-85 -106.64 86.65 2.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -37.45 9.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.76 2.307 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -93.24 15.73 14.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -45.07 -50.43 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -47.97 -56.24 8.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.21 -58.34 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -46.07 -40.93 11.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 39.2 m-85 -134.77 94.29 16.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.7 0.762 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.72 -46.32 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.77 111.07 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.533 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 31.6 t-105 -42.49 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.53 -29.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -90.91 -39.55 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -68.74 -54.77 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' HB ' ' CZ2' ' A' ' 48' ' ' TRP . 8.9 p -42.28 -45.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 52' ' ' VAL . 64.1 mttt -55.16 -43.55 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 98.8 mm-40 -60.3 -32.71 71.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' THR . 96.6 mt -65.38 -37.27 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -53.98 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 8.4 ptmt -56.91 -49.08 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 27.3 mt -65.25 -22.86 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.2 t-105 -81.4 -46.55 14.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.48 -46.9 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -25.99 30.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.66 132.11 44.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -63.32 148.76 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 m -50.44 -44.74 55.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -61.59 -19.48 62.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -80.65 -37.15 31.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.972 ' O ' HG23 ' A' ' 71' ' ' VAL . 20.0 mtp180 -78.17 -22.0 49.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.734 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.74 -58.66 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.04 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 57.0 m-85 -60.66 -15.06 24.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 67' ' ' ARG . 85.3 t -85.4 -37.42 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -85.02 -44.84 12.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -52.62 -44.06 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -47.41 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -63.5 -48.32 78.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.12 -39.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -52.26 -37.55 55.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 45.4 mtt85 -60.05 -45.04 94.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.663 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -55.43 -52.14 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -34.9 -51.79 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.01 -56.17 25.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -46.04 -51.8 13.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -68.93 -65.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.81 87.17 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -85.57 166.42 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.78 136.96 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -47.82 137.16 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.38 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.6 t 57.8 42.24 23.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.2 m -159.38 155.29 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 4.9 m -37.01 -62.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.68 -98.58 0.72 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -163.98 170.39 16.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -87.98 159.44 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.7 97.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -62.42 -62.04 2.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.905 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ASN . . . -34.17 -61.21 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.95 125.97 26.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.82 157.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.726 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.9 t -158.3 -176.66 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.4 p -98.47 81.19 2.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' A' ' 12' ' ' SER . 1.2 mp -115.73 -53.69 2.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.94 -38.91 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 18.6 m0 -59.59 -60.25 4.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -39.92 -35.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -77.51 -57.69 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.842 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.1 mm-40 -56.94 -20.46 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mm-40 -66.12 -21.15 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.52 -24.81 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.842 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.5 mt -78.08 -11.8 59.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.72 -116.01 5.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.6 -13.59 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.6 mmm -95.15 11.92 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -58.06 127.01 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.734 HG23 ' OE2' ' A' ' 19' ' ' GLU . 56.9 p -83.87 21.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.776 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -128.65 156.13 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.59 -57.71 5.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.776 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.1 Cg_endo -69.7 -47.58 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG11 ' HB2' ' A' ' 19' ' ' GLU . 5.3 t -61.64 -16.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 30.1 tp -92.43 -47.14 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.92 -56.64 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.458 ' HB ' HD22 ' A' ' 41' ' ' LEU . 2.6 p -57.16 -51.53 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.441 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 55.4 m-20 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.37 -64.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.45 -51.78 57.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 38.9 m-85 -106.79 86.11 2.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.63 10.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -89.72 13.08 15.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' HB ' ' A' ' 34' ' ' THR . 11.8 tp -43.71 -58.23 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.449 ' CD ' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.02 -58.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.49 -61.68 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 17.3 mt-10 -40.97 -41.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.533 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 14.8 m-85 -134.98 94.05 16.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.27 118.03 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 39.6 t-105 -50.09 -62.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.31 -23.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.7 m -94.15 -43.2 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -64.23 -53.26 51.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 53' ' ' LYS . 10.4 p -43.79 -40.91 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' N ' HG13 ' A' ' 52' ' ' VAL . 23.6 mttm -61.66 -44.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.533 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 88.6 mm-40 -57.44 -42.56 82.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.57 HG22 ' HB2' ' A' ' 30' ' ' PRO . 74.2 mt -56.04 -37.1 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.94 -59.9 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.7 ptmt -52.8 -48.32 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.487 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 19.4 mt -65.82 -26.47 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.823 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 67.7 t-105 -78.91 -39.54 34.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -64.43 -54.18 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 6.1 ptmt -48.52 -33.64 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -61.81 126.77 28.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -64.08 149.36 47.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -47.72 -46.95 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -55.23 -28.34 52.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 6.8 tp10 -76.71 -35.22 57.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.947 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.4 mtp-105 -77.7 -23.96 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.66 -58.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.54 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 66' ' ' GLU . 44.8 m-85 -59.69 -15.83 22.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.4 t -85.48 -37.0 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -84.34 -46.42 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -49.73 -44.68 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.19 -47.49 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -61.97 -46.61 88.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.67 -37.12 86.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -58.93 -29.74 67.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -68.57 -33.63 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.06 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.57 -43.25 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.3 mt -69.18 -42.76 75.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -57.34 -41.03 79.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.67 -51.45 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 86' ' ' VAL . 37.6 m-80 -52.18 -48.53 64.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -45.66 134.04 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.7 t -124.54 -23.85 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.1 143.54 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.23 87.27 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.1 m -104.71 41.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.431 -0.267 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.79 133.33 44.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 m -134.02 151.76 51.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.48 138.2 44.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 p -99.28 167.56 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -140.81 158.98 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.59 -62.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -129.53 144.81 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.31 116.68 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -168.11 128.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 55.31 38.37 30.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -129.44 112.35 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.0 p -71.62 -22.83 61.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' H ' HD12 ' A' ' 14' ' ' LEU . 5.5 mp -62.25 -13.27 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -111.97 30.11 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -119.01 -53.86 2.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.65 -42.72 25.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -66.36 -56.01 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.776 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -55.0 -34.55 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -52.15 -35.62 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.47 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 19' ' ' GLU . 14.2 mt -70.0 -17.79 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 58.34 -118.96 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -60.12 -13.04 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.0 mmm -90.0 -9.46 48.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -36.52 127.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.712 HG23 ' OE2' ' A' ' 19' ' ' GLU . 43.2 p -85.95 15.4 5.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.838 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -122.55 158.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.885 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.07 -57.12 5.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.838 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.7 Cg_endo -69.74 -44.07 2.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 19' ' ' GLU . 16.7 t -61.92 -22.42 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.9 tp -88.28 -50.81 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -45.44 -56.12 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.609 HG21 ' HA ' ' A' ' 55' ' ' ILE . 3.2 p -60.61 -43.37 97.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.566 ' ND2' ' HB2' ' A' ' 26' ' ' ALA . 49.9 m-20 -49.82 -33.6 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.3 mt -92.35 -62.53 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -53.78 -50.43 66.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 52.2 m-85 -109.29 87.1 4.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.83 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.75 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -83.51 14.06 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -43.88 -57.25 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' CD ' ' H ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -40.05 -60.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.57 -58.68 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm-40 -44.05 -40.3 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.542 ' CZ ' ' OE1' ' A' ' 54' ' ' GLN . 5.4 m-85 -134.62 93.88 17.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.8 Cg_endo -69.74 -50.31 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.27 . . . . 0.0 112.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.16 115.24 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -49.61 -61.99 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.48 -24.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.3 m -94.61 -35.32 12.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.22 -53.42 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -46.58 -28.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -68.36 -35.81 78.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.542 ' OE1' ' CZ ' ' A' ' 45' ' ' PHE . 40.9 mm-40 -68.74 -58.33 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.609 ' HA ' HG21 ' A' ' 34' ' ' THR . 77.1 mt -40.72 -34.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.93 -55.72 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 19.8 pttt -59.81 -47.61 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.7 mt -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.885 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 71.0 t-105 -77.27 -45.66 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.43 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 29.3 mtp180 -55.26 -53.72 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 58' ' ' LEU . 5.8 ptmt -46.01 -31.84 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.84 138.41 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -87.74 155.14 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -43.49 -56.45 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -50.37 -27.86 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -81.78 -38.25 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.939 ' O ' HG23 ' A' ' 71' ' ' VAL . 29.1 mtt180 -78.89 -19.6 51.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.18 -58.48 0.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.76 -51.24 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -59.96 -15.29 20.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 67' ' ' ARG . 91.7 t -86.24 -42.93 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.94 -48.69 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -47.35 -52.06 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.47 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 -63.92 -48.23 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.97 -39.03 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -54.49 -34.73 62.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 37.9 mtp180 -66.54 -42.21 87.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.471 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -62.28 -49.3 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.35 -32.49 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.8 mt -72.53 -55.32 7.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -49.98 -44.58 50.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.4 mp -71.62 -54.54 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 84' ' ' ASN . 1.3 p-10 45.44 51.08 9.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -154.19 110.25 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 88' ' ' MET . 97.6 t -59.47 126.33 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -118.8 39.88 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.453 ' H ' HG12 ' A' ' 86' ' ' VAL . 7.7 mmt -80.39 138.88 36.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.5 t -56.19 -60.16 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -145.37 119.4 9.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -56.55 154.75 8.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.76 -169.19 13.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -141.19 122.09 14.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -52.26 -53.37 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.73 115.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -158.33 136.78 10.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 90.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -174.18 112.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -41.79 139.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -149.88 125.32 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 16' ' ' TRP . 73.2 p -58.23 -42.58 86.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.665 ' H ' HD12 ' A' ' 14' ' ' LEU . 5.1 mp -39.59 -36.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -81.36 -33.66 32.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' THR . 10.5 m0 -57.67 -63.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 48' ' ' TRP . 5.0 pt-20 -42.79 -36.98 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -60.81 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.688 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -66.65 -36.73 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 31' ' ' VAL . 18.5 mm-40 -46.42 -39.73 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -34.6 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 19' ' ' GLU . 13.2 mt -69.22 -16.46 63.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 56.32 -117.71 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.22 -14.12 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.0 mmm -90.59 -7.16 53.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -39.41 122.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.45 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 69.2 p -84.29 19.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.828 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.1 t -124.82 156.03 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.903 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.07 -57.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.828 ' HD2' HG12 ' A' ' 28' ' ' VAL . 52.9 Cg_endo -69.81 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.296 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 20' ' ' GLU . 5.0 t -58.27 -15.02 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.0 tp -93.9 -55.2 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -42.21 -51.17 4.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.489 HG21 ' HA ' ' A' ' 55' ' ' ILE . 17.3 p -63.48 -47.64 80.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.567 HD22 ' HB2' ' A' ' 26' ' ' ALA . 43.5 m-20 -44.97 -41.94 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -87.34 -65.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -47.94 -52.82 18.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -106.32 88.07 3.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.81 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -90.21 12.58 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.641 HD23 ' HD2' ' A' ' 51' ' ' ARG . 7.1 tp -38.73 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -34.9 -43.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 34.3 mt-10 -57.63 -59.77 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.3 mm-40 -49.67 -42.37 45.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 5.9 m-85 -134.97 93.58 17.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.6 Cg_endo -69.78 -47.58 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.33 111.26 6.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.3 t-105 -44.43 -62.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -40.56 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 86.2 m -97.86 -34.85 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HD2' HD23 ' A' ' 41' ' ' LEU . 23.8 ttp180 -70.93 -52.45 19.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 53' ' ' LYS . 11.4 p -40.68 -45.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' N ' HG13 ' A' ' 52' ' ' VAL . 31.1 mttm -53.32 -39.03 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.557 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 87.8 mm-40 -66.57 -52.23 47.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.489 ' HA ' HG21 ' A' ' 34' ' ' THR . 72.4 mt -46.25 -31.73 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.97 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -53.53 -49.44 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 50.7 mt -58.38 -33.43 69.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.903 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 62.5 t-105 -73.83 -36.17 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 9.7 mmm180 -62.19 -51.2 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -41.38 -47.81 3.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' NE ' ' A' ' 67' ' ' ARG . . . -61.17 129.57 41.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.072 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -78.63 158.57 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.99 -52.7 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.85 -30.41 45.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.58 -36.46 44.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.924 ' O ' HG23 ' A' ' 71' ' ' VAL . 41.0 mtt180 -79.79 -16.91 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.41 -57.94 0.85 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -59.48 -17.11 28.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.8 t -85.82 -40.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -76.77 -48.26 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -49.75 -45.21 49.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.07 -47.28 68.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -63.99 -50.38 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.31 -39.58 76.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.79 -38.96 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.45 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 60.8 mtt180 -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.718 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -62.59 -49.1 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.87 -53.09 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.7 mt -48.57 -55.22 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -47.66 -60.82 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.4 mp -55.02 -62.43 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -57.77 130.61 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.44 ' NZ ' ' HA ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER 56.03 47.64 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.416 ' H ' HG12 ' A' ' 86' ' ' VAL . 1.5 p -75.04 141.23 16.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.414 ' O ' ' NE2' ' A' ' 87' ' ' GLN . 5.0 pp0? -84.04 135.91 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.5 ttt -107.58 -61.8 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.5 p -40.02 114.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -100.79 157.37 16.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -99.52 -46.19 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.36 92.19 1.03 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 59.8 p -96.87 110.17 22.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 90.3 p -37.28 136.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -142.75 94.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' GLY . 19.4 t-20 -36.65 139.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.42 -61.8 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -68.96 -179.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -103.99 147.91 26.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -164.98 174.63 10.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.545 ' O ' HD23 ' A' ' 14' ' ' LEU . 80.5 p -94.91 71.15 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 13' ' ' THR . 12.1 mt -127.0 -57.35 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -59.26 -40.33 85.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.472 ' HA ' HG21 ' A' ' 31' ' ' VAL . 22.6 m0 -43.48 -50.69 6.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -52.2 -38.51 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -73.69 -52.79 12.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.832 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -59.25 -29.32 67.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' HG13 ' A' ' 31' ' ' VAL . 12.4 mm-40 -58.16 -26.32 62.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -32.78 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 36.9 mt -70.44 -15.32 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.76 -120.74 23.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -59.53 -17.22 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.429 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.5 mmm -85.19 -8.52 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -37.44 130.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.9 p -88.36 8.06 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.847 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -115.76 157.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.761 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.83 -56.64 5.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.847 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 19' ' ' GLU . 19.4 t -64.77 -20.7 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 24.4 tp -88.39 -49.24 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -49.79 -58.82 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' PHE . 5.9 p -53.25 -53.83 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' A' ' 26' ' ' ALA . 71.1 m-20 -40.47 -37.99 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -88.94 -62.83 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.56 -56.38 15.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 62.9 m-85 -106.73 86.83 2.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -42.31 3.42 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -88.37 17.19 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.792 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.4 tp -43.65 -59.5 2.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 pttp -36.83 -40.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.2 -63.94 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.5 mm-40 -43.03 -44.78 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.9 m-85 -134.81 93.55 17.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.71 -48.49 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.09 113.79 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' THR . 45.0 t-105 -43.56 -65.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.52 -24.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.0 m -93.88 -36.88 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.792 ' HD2' HD23 ' A' ' 41' ' ' LEU . 19.6 ttp180 -70.92 -52.12 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -44.03 -46.57 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' N ' HG13 ' A' ' 52' ' ' VAL . 45.2 mttm -52.84 -33.93 51.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 30.9 mm100 -69.01 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLN . 68.6 mt -36.47 -32.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -72.5 -49.78 30.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HE3' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.36 -38.5 87.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 35.6 mt -73.15 -33.52 65.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.761 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 68.8 t-105 -69.08 -51.72 35.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -57.73 -50.28 73.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.12 -44.56 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 123.06 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 m -60.01 159.65 9.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 m -51.84 -48.67 63.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -56.16 -18.24 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.49 -39.59 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 15.1 mtp180 -78.5 -20.4 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.83 -58.72 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.529 0.68 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -60.23 -14.53 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 88.1 t -86.56 -37.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -83.87 -43.37 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -52.56 -48.74 65.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.0 -52.65 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -57.87 -47.73 81.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.4 -40.38 78.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -55.34 -35.2 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -62.28 -38.83 90.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -61.7 -49.57 75.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.0 -45.31 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.41 -53.17 60.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -43.98 -61.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.756 HD12 ' H ' ' A' ' 83' ' ' ILE . 5.4 mp -54.93 -50.59 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -93.14 80.3 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -145.7 141.09 27.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.2 t -93.26 107.7 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -57.52 123.67 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -112.16 130.05 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.7 p -92.34 175.01 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.4 m0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.705 0.288 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.65 -37.04 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.95 -56.85 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -55.84 -24.63 37.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 7.9 mm-40 -60.42 -31.63 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.25 -30.51 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 19' ' ' GLU . 8.5 mt -75.0 -13.77 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.27 -115.91 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.9 -16.05 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.431 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 33.5 mmm -90.69 2.1 56.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -49.32 124.44 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 29.7 p -81.9 17.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -122.05 156.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.775 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.82 -57.76 4.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.798 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.79 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 19' ' ' GLU . 9.2 t -56.69 -17.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.1 tp -92.25 -53.31 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -44.25 -54.11 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.589 HG21 ' HA ' ' A' ' 55' ' ' ILE . 11.2 p -59.84 -45.58 91.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 74.6 m-20 -49.61 -33.95 16.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.4 mt -92.58 -65.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -50.94 -48.08 60.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -112.76 84.52 6.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.13 8.21 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.37 9.62 22.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.506 HD23 ' HD2' ' A' ' 51' ' ' ARG . 8.2 tp -37.79 -62.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LEU . 19.1 ptmt -36.92 -46.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.09 -58.1 9.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 14.5 mm-40 -52.38 -40.14 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 10.6 m-85 -134.75 93.73 17.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.743 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.0 Cg_endo -69.72 -43.85 2.45 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.12 113.71 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.444 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 40.1 t-105 -45.57 -59.78 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.5 -26.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -97.11 -36.47 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.506 ' HD2' HD23 ' A' ' 41' ' ' LEU . 37.8 ttp180 -68.19 -51.99 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 53' ' ' LYS . 10.9 p -45.1 -43.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 52' ' ' VAL . 33.8 mttm -59.28 -37.88 78.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.685 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 29.9 mm100 -65.38 -31.59 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.589 ' HA ' HG21 ' A' ' 34' ' ' THR . 95.3 mt -66.96 -35.94 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -57.76 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.1 ptmt -50.64 -48.93 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.9 mt -63.28 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.775 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 75.7 t-105 -63.99 -48.85 74.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 50.1 mtp180 -61.76 -37.19 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -55.67 -43.33 76.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -64.13 151.67 42.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -89.88 155.05 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.33 -47.91 25.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.8 -25.27 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -82.67 -38.13 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.897 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.7 mtt180 -79.25 -16.08 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.6 -58.79 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -59.31 -16.34 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 67' ' ' ARG . 75.6 t -84.24 -39.21 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -80.81 -47.18 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -48.01 -48.19 32.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.54 -43.41 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.052 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -68.67 -45.8 70.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -64.54 -30.78 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -61.42 -30.42 70.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 85.3 mtm180 -67.99 -32.3 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.79 -49.45 38.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD2' HG22 ' A' ' 31' ' ' VAL . 25.4 m0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.728 0.299 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.89 -27.61 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.76 -53.91 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.54 -22.45 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.48 -32.94 72.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.81 63.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 19' ' ' GLU . 15.0 mt -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.438 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.21 -115.99 5.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.39 -14.49 19.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 31.9 mmm -93.32 1.5 56.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -49.1 125.14 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 49.5 p -80.79 6.55 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.753 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -108.44 159.24 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.83 -59.67 2.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 0.0 111.067 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 29' ' ' ALA . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.306 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 16' ' ' TRP . 4.2 t -55.65 -19.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.7 tp -90.65 -49.25 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -47.93 -56.62 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -58.05 -49.96 75.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 78.2 m-20 -42.66 -34.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.4 mt -92.58 -63.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -52.54 -53.62 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 49.3 m-85 -107.77 85.12 2.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -40.09 5.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 41' ' ' LEU . 71.4 m-20 -85.09 8.17 18.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.47 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -37.25 -53.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -43.33 -51.8 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.81 -59.77 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.8 mt-10 -48.87 -41.29 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.669 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 1.9 m-85 -134.91 93.56 17.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.79 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 120.28 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 37.8 t-105 -52.68 -59.33 4.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.4 -23.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 m -99.58 -32.21 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD2' HD23 ' A' ' 41' ' ' LEU . 39.9 ttp180 -73.37 -51.03 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.4 p -47.56 -44.1 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' HG13 ' A' ' 52' ' ' VAL . 85.1 mttt -55.15 -40.17 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.669 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 17.0 mm100 -62.87 -59.01 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.9 mt -38.85 -35.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.33 -56.34 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 26.3 pttt -58.48 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.528 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 20.9 mt -58.38 -33.62 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.673 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.8 t-105 -72.69 -53.34 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.425 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 62.1 mtt85 -58.92 -37.08 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -54.67 -39.82 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.45 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -68.78 146.99 52.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.1 m -84.64 156.23 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.57 -49.24 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.24 -23.63 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.91 -35.94 23.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 71' ' ' VAL . 46.8 mtt180 -80.87 -12.55 59.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -40.62 -57.53 3.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.2 Cg_endo -69.79 -48.76 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -61.96 -18.49 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 67' ' ' ARG . 69.2 t -84.99 -39.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -80.0 -48.78 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -49.3 -48.95 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.45 -35.88 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -73.33 -42.62 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -67.81 -34.63 77.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -55.62 -35.19 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 89.2 mtt180 -63.19 -34.84 78.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.72 -50.61 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.136 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.2 m0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.736 0.303 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -50.27 -35.99 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -74.1 -55.19 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.02 -33.87 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.467 ' OE1' ' NE ' ' A' ' 51' ' ' ARG . 6.1 mm-40 -51.61 -28.46 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.84 55.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.3 mt -69.6 -15.82 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.23 -118.47 11.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.28 -17.55 29.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.431 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.3 mmm -86.45 -10.29 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -36.1 123.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.7 p -82.49 17.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -121.88 158.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.808 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.61 -58.71 3.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.796 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.8 Cg_endo -69.78 -50.98 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 19' ' ' GLU . 6.9 t -57.01 -16.01 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 26.0 tp -94.26 -49.97 5.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 27.4 t80 -46.85 -54.51 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.556 HG21 HG12 ' A' ' 55' ' ' ILE . 3.3 p -58.3 -55.16 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 68.7 m-20 -40.53 -35.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.46 -64.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 11.3 m-80 -49.81 -54.6 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -106.04 89.07 3.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.8 Cg_endo -69.78 -36.89 9.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.05 14.89 16.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.666 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.3 tp -42.15 -48.49 4.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.42 -44.27 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.63 -58.76 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.49 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 4.3 mp0 -50.3 -41.24 50.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.69 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 4.8 m-85 -134.96 93.81 16.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.677 0.751 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.73 -41.57 4.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.39 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.55 115.01 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 49.5 t-105 -46.83 -58.26 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -40.76 -30.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -94.16 -34.45 12.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HD2' HD23 ' A' ' 41' ' ' LEU . 35.4 ttp180 -68.14 -53.19 26.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.0 p -46.79 -43.15 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.47 ' N ' HG13 ' A' ' 52' ' ' VAL . 36.0 mttm -55.63 -35.93 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.69 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 20.8 mm100 -67.56 -61.8 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.556 HG12 HG21 ' A' ' 34' ' ' THR . 61.5 mt -37.5 -34.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -62.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.548 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 5.3 ptpt -53.23 -50.7 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.548 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 27.8 mt -54.76 -47.0 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.808 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.4 t-105 -63.01 -42.63 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 59.3 mtt-85 -62.86 -39.66 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -56.59 -43.33 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.11 53.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -88.05 153.93 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -43.35 -54.18 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -50.06 -30.12 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -78.73 -37.11 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.2 mtt180 -79.69 -13.66 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.742 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.65 -58.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -59.17 -17.59 28.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 67' ' ' ARG . 74.9 t -85.22 -37.19 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -79.84 -49.59 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -48.39 -47.9 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.28 -38.87 55.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -70.63 -46.72 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.89 -35.2 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.17 -35.56 71.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -62.63 -36.32 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.41 -51.11 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CD2' HG22 ' A' ' 31' ' ' VAL . 16.4 m0 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.728 0.299 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.85 -26.16 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -86.99 -48.96 7.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' HG11 ' A' ' 31' ' ' VAL . 2.9 mm-40 -64.47 -23.81 67.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG2' HG13 ' A' ' 31' ' ' VAL . 11.3 mm-40 -63.07 -22.93 67.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.42 -30.65 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 17.3 mt -71.37 -15.88 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 54.12 -114.47 4.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.0 -11.15 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.6 mmm -95.32 -11.71 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -35.43 125.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.441 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 60.5 p -81.82 17.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.775 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -123.92 157.9 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.75 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -71.91 -58.46 3.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.775 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 20' ' ' GLU . 6.5 t -56.68 -16.03 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.94 HD21 ' HE2' ' A' ' 73' ' ' LYS . 15.0 tp -92.53 -48.93 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -49.88 -57.17 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.605 HG21 ' HA ' ' A' ' 55' ' ' ILE . 14.0 p -56.13 -48.93 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.426 HD22 ' HB2' ' A' ' 26' ' ' ALA . 60.2 m-20 -44.18 -34.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.64 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.78 -54.0 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' THR . 46.1 m-85 -106.58 86.85 2.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.69 14.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 50.7 m-80 -90.45 9.56 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' ASN . 13.6 tp -37.02 -46.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -52.57 -58.61 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -55.91 -60.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -43.25 -42.71 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 21.3 m-85 -134.95 94.25 16.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.0 Cg_endo -69.74 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -66.25 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' ARG . 59.3 t-105 -47.43 -62.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.66 -27.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' TRP . 93.7 m -95.68 -32.64 12.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 51.4 ttp180 -71.37 -51.04 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.1 p -46.11 -46.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.537 ' N ' HG13 ' A' ' 52' ' ' VAL . 67.0 mttt -55.32 -50.64 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 21.1 mm100 -52.87 -34.62 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.605 ' HA ' HG21 ' A' ' 34' ' ' THR . 96.6 mt -65.4 -40.84 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.5 -59.24 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 15.6 ptmt -46.57 -47.89 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 27.8 mt -65.66 -36.64 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.713 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 72.3 t-105 -61.94 -52.39 64.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.9 mtm-85 -58.9 -48.76 80.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -44.86 -45.15 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 127.49 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 t -60.57 151.59 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -48.31 -49.73 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -55.18 -22.71 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.72 -37.36 35.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.959 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.1 mtp180 -78.91 -19.14 52.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.46 -58.44 0.52 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.0 Cg_endo -69.73 -51.14 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.8 -15.87 23.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.1 t -83.73 -40.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -79.64 -42.62 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.94 ' HE2' HD21 ' A' ' 32' ' ' LEU . 3.3 ttpt -51.95 -46.05 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -39.25 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -70.77 -44.86 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.09 -36.86 85.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -55.91 -35.79 66.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 74.2 mtt180 -63.49 -40.4 96.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.18 -51.81 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 m0 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.802 0.334 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -51.06 -37.95 48.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.38 -49.15 65.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.837 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 mm-40 -66.54 -24.62 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.12 -26.41 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 19' ' ' GLU . 6.6 mt -79.7 -16.24 56.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.39 -112.99 2.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.82 -19.12 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 mtp -93.97 12.25 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -56.86 126.5 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.403 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 35.6 p -84.54 25.96 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.8 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -132.37 156.16 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.765 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.71 -57.76 5.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.54 0.686 . . . . 0.0 111.08 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.8 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.77 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 31' ' ' VAL . 6.0 t -56.9 -15.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' HD3' ' A' ' 73' ' ' LYS . 18.4 tp -94.15 -50.76 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -47.32 -53.6 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' PHE . 18.1 p -61.53 -53.17 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.429 HD22 ' HB2' ' A' ' 26' ' ' ALA . 41.5 m-20 -41.51 -39.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -89.25 -64.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -49.67 -54.51 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 87.1 m-85 -106.47 87.54 2.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.38 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -80.68 8.88 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.532 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.12 -59.08 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -40.37 -43.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.54 -62.16 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 23.2 mt-10 -44.94 -44.01 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 m-85 -134.84 93.77 17.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.2 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.15 108.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' THR . 53.3 t-105 -43.65 -61.93 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -41.27 -25.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' TRP . 38.1 m -96.13 -38.84 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.532 ' HD2' HD23 ' A' ' 41' ' ' LEU . 5.3 ttp-105 -66.9 -51.87 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.57 HG13 ' N ' ' A' ' 53' ' ' LYS . 7.9 p -39.72 -50.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.57 ' N ' HG13 ' A' ' 52' ' ' VAL . 24.1 mttp -50.73 -49.02 58.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.689 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 mm100 -51.44 -57.51 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.3 mt -44.53 -34.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 53' ' ' LYS . . . -65.79 -54.32 28.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 18.5 pttt -62.76 -49.15 76.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 50.9 mt -57.86 -34.51 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.765 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.0 t-105 -71.86 -51.0 24.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.26 -43.23 96.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -49.26 -43.72 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 148.79 43.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -81.73 150.31 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.83 -44.53 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.2 -23.97 64.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -82.22 -34.85 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.5 mtp180 -79.45 -18.86 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.7 -57.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.79 -51.27 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.57 -16.67 26.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.9 t -84.32 -39.85 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -79.3 -46.51 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HD3' HD21 ' A' ' 32' ' ' LEU . 40.1 tttp -47.63 -50.35 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.65 52.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -67.18 -44.04 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.1 -37.68 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.05 -35.11 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.403 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 52.6 mtp180 -64.6 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.0 m0 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.713 0.292 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.23 -30.25 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -77.33 -50.42 12.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.2 mm-40 -63.03 -28.72 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.575 ' HG2' HG13 ' A' ' 31' ' ' VAL . 7.6 mm-40 -57.0 -29.73 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.42 -32.74 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 19' ' ' GLU . 17.4 mt -71.16 -15.63 62.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 55.43 -117.44 8.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.18 -14.83 19.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.451 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.7 mmm -90.76 -6.39 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -40.29 124.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -82.63 14.32 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.766 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -119.04 158.18 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -71.62 -58.92 3.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.766 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.76 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG13 ' HG2' ' A' ' 20' ' ' GLU . 5.2 t -55.71 -21.2 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 18.7 tp -87.99 -49.2 7.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -48.24 -58.89 3.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 p -54.75 -50.9 67.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.457 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 70.9 m-20 -43.03 -35.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.3 mt -89.61 -64.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.92 -54.12 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -110.58 86.64 5.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -41.22 4.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.638 2.226 . . . . 0.0 112.378 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -86.76 13.48 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.678 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.5 tp -39.98 -58.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -37.91 -40.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.19 -64.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.541 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.84 -43.38 4.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 m-85 -134.58 93.76 18.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.5 Cg_endo -69.76 -42.25 3.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.92 110.14 6.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' THR . 54.0 t-105 -43.35 -63.76 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.79 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.1 m -97.25 -35.82 10.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.678 ' HD2' HD23 ' A' ' 41' ' ' LEU . 4.6 ttp-105 -70.46 -50.75 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.9 p -44.66 -39.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.419 ' N ' HG13 ' A' ' 52' ' ' VAL . 41.7 mttm -62.83 -33.29 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 29.8 mm100 -69.24 -34.18 74.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.81 -38.0 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.01 5.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.7 ptmt -52.85 -48.55 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 39.9 mt -64.25 -34.87 79.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.678 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 67.9 t-105 -64.29 -53.88 42.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.0 mtp-105 -62.03 -41.88 98.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -47.5 -38.55 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.7 137.71 49.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 t -66.93 155.1 39.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -51.54 -47.92 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.87 -11.7 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -88.41 -36.87 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.954 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.5 mtp180 -79.24 -18.31 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.01 -58.29 0.6 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -59.83 -15.85 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.6 t -84.27 -42.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.02 -43.9 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -50.31 -49.94 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.06 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -71.16 -41.66 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -68.19 -35.91 78.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -54.36 -35.31 62.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -64.64 -33.54 76.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.37 -51.11 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.1 m0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.763 0.316 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.13 -38.0 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -70.68 -42.72 70.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -70.4 -19.54 63.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG2' HG13 ' A' ' 31' ' ' VAL . 12.0 mm-40 -65.89 -20.98 66.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.09 -31.75 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.88 -20.8 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 61.53 -121.64 26.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.12 -11.15 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 26' ' ' ALA . 4.2 mtp -91.38 -16.7 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -33.62 121.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -78.08 8.79 4.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.894 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.5 t -110.4 157.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.56 -59.18 2.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.565 0.698 . . . . 0.0 111.035 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.894 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.8 Cg_endo -69.68 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.444 HG13 ' HG2' ' A' ' 20' ' ' GLU . 2.8 t -58.41 -13.69 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 17.7 tp -94.21 -49.41 5.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -51.35 -54.42 26.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 55' ' ' ILE . 22.9 p -57.88 -43.64 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 31.5 m-20 -52.1 -30.31 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.43 -53.45 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.24 -55.47 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 55.2 m-85 -105.5 90.73 4.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 38' ' ' PHE . 54.3 Cg_endo -69.74 -44.66 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . 9.9 m120 -82.95 8.4 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.3 tp -37.83 -52.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.48 -62.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 11.4 mt-10 -38.37 -41.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 4.3 m-85 -134.97 93.62 17.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.8 -44.12 2.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.17 108.12 3.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ARG . 50.4 t-105 -44.86 -62.86 1.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -40.44 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' TRP . 97.5 m -93.88 -35.56 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 41' ' ' LEU . 2.4 ttp-105 -70.6 -49.84 43.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.83 -25.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -76.15 -44.58 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 29.8 mm100 -58.79 -32.15 69.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' THR . 80.4 mt -69.1 -34.41 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.85 -50.08 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -60.1 -49.22 78.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 16.3 mt -63.27 -35.1 79.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 69.0 t-105 -63.55 -55.51 23.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -59.6 -39.75 85.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -49.55 -39.52 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 138.05 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -67.19 151.48 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.41 -49.11 25.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.38 -22.98 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -77.14 -35.16 56.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.938 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.0 mtp180 -80.17 -16.4 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.22 -57.36 1.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -48.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -62.6 -16.62 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.5 t -86.35 -37.71 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -81.81 -43.48 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.14 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HA ' ' NH1' ' A' ' 78' ' ' ARG . 15.2 mtp85 -60.93 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -57.86 -39.72 78.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -52.67 -35.53 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 75' ' ' ARG . 82.3 mtm-85 -60.67 -39.67 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.76 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.5 m0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.773 0.32 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.87 -40.32 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.82 -51.84 66.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.586 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.2 mm-40 -61.35 -37.84 84.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.538 ' HG2' HG13 ' A' ' 31' ' ' VAL . 14.1 mm-40 -46.88 -31.92 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -33.47 65.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 19' ' ' GLU . 15.8 mt -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.39 -116.08 8.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.48 -9.5 26.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.2 mtp -94.82 -9.35 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.35 125.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.501 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 51.3 p -82.52 6.6 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.812 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -108.82 155.72 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.747 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.97 -57.97 4.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.76 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.538 HG13 ' HG2' ' A' ' 20' ' ' GLU . 4.2 t -56.99 -15.01 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -94.13 -52.54 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -46.35 -53.57 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.442 HG21 HG12 ' A' ' 55' ' ' ILE . 19.1 p -60.89 -44.92 96.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -48.31 -34.52 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -93.41 -64.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -50.26 -51.05 47.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -106.47 87.82 2.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.48 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.727 2.285 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -86.58 14.89 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.7 tp -43.86 -56.34 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 18.5 ptmt -43.66 -44.21 6.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 14.9 mt-10 -62.37 -58.51 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.09 -40.0 21.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 4.6 m-85 -133.87 93.36 20.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.4 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.04 110.97 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.8 t-105 -44.09 -60.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.73 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' TRP . 49.1 m -95.24 -38.65 10.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' A' ' 41' ' ' LEU . 19.1 ttp180 -65.92 -53.51 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 53' ' ' LYS . 11.7 p -46.28 -44.97 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' N ' HG13 ' A' ' 52' ' ' VAL . 38.9 mttm -55.61 -40.82 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.555 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 21.6 mm100 -62.79 -60.51 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 34' ' ' THR . 72.3 mt -39.11 -32.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -56.76 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.52 -48.46 81.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.7 mt -57.14 -35.48 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.747 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 74.5 t-105 -74.32 -46.07 43.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 24.4 mtp180 -59.78 -40.23 87.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.66 -42.86 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.88 138.14 58.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -80.15 156.97 26.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.45 -47.42 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -58.17 -24.89 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.26 -37.6 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 71' ' ' VAL . 31.1 mtt180 -79.39 -16.06 56.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.7 -58.62 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.77 -51.23 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -59.54 -16.44 24.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 67' ' ' ARG . 79.6 t -85.81 -39.08 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -79.23 -47.18 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -48.67 -51.37 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 27' ' ' THR . . . -49.06 -38.53 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -70.18 -45.03 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.3 -37.19 84.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -55.57 -37.53 68.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 40.5 mtp180 -59.46 -39.87 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.78 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.3 m0 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.673 0.273 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -45.59 -32.3 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.18 -45.81 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.672 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -67.2 -23.18 65.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 8.0 mm-40 -59.97 -19.33 51.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 -40.4 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' CD ' ' A' ' 19' ' ' GLU . 17.7 mt -60.0 -26.29 65.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 66.29 -119.32 12.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.2 -15.12 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.3 mtp -89.87 -8.22 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -40.52 120.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 50.3 p -76.6 5.31 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.89 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.5 t -106.79 158.16 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -73.07 -59.11 2.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.89 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.76 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 31' ' ' VAL . 3.2 t -55.96 -18.24 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 19.6 tp -90.44 -50.24 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 5.3 t80 -49.97 -55.82 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 p -58.13 -42.24 85.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.46 HD22 ' HB2' ' A' ' 26' ' ' ALA . 29.7 m-20 -52.02 -33.59 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -90.4 -60.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 11.4 m-80 -55.45 -50.86 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -105.34 90.99 4.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.5 Cg_endo -69.75 -40.49 5.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -96.01 19.57 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.37 -47.3 6.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -51.68 -51.86 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.91 -57.96 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 mp0 -48.77 -41.28 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 16.3 m-85 -135.0 93.65 17.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.69 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.91 107.66 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 51.1 t-105 -44.4 -63.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -42.01 -25.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' TRP . 74.1 m -94.16 -36.6 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -71.49 -51.76 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 55' ' ' ILE . 9.1 p -41.25 -29.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.16 -45.27 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 28.9 mm100 -59.2 -31.22 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.5 mt -68.51 -34.77 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 7.5 ptmm? -66.67 -49.28 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 38.2 mt -63.67 -25.89 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.685 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.0 t-105 -79.89 -45.48 18.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.12 -49.67 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -52.66 -28.49 21.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.01 131.56 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 p -62.5 149.07 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -49.41 -47.17 48.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -58.76 -21.32 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.82 -39.12 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 15.1 mtp180 -77.72 -22.74 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.31 -59.09 0.4 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -51.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 53.2 m-85 -60.17 -14.59 18.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 88.8 t -86.18 -37.83 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -83.18 -43.98 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -54.02 -44.01 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 27' ' ' THR . . . -54.24 -40.02 67.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -67.6 -45.2 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -62.79 -38.09 89.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -53.84 -34.92 60.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 mtm105 -61.7 -40.91 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -59.88 -52.14 66.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . 32.4 m0 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.699 0.285 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.5 tp10 -37.03 -39.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -64.04 -51.93 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -63.15 -31.98 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.636 ' OE2' HD11 ' A' ' 55' ' ' ILE . 3.7 mm-40 -53.0 -27.35 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.83 -32.86 40.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 19' ' ' GLU . 10.1 mt -73.86 -15.23 61.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.86 -116.23 5.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.29 -17.44 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.479 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 27.0 mmm -87.73 -9.83 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -40.99 122.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.415 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 59.4 p -83.46 24.27 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.816 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -124.45 157.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.795 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.93 -58.5 3.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.816 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.0 Cg_endo -69.73 -51.48 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 31' ' ' VAL . 4.3 t -56.1 -19.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.3 tp -89.85 -55.05 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -43.72 -55.12 4.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.565 HG21 ' HA ' ' A' ' 55' ' ' ILE . 12.5 p -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 26' ' ' ALA . 38.0 m-20 -49.64 -34.04 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -91.68 -65.22 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -50.96 -47.83 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 58' ' ' LEU . 86.2 m-85 -106.85 88.25 3.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -46.34 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 1.4 p30 -85.75 10.55 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' HD2' ' A' ' 51' ' ' ARG . 8.2 tp -38.25 -48.49 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG2' ' NH1' ' A' ' 51' ' ' ARG . 23.6 mtpp -46.84 -54.79 9.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.59 -59.53 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 13.6 mm-40 -45.01 -41.94 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.683 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 8.6 m-85 -134.39 93.6 18.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.6 Cg_endo -69.77 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.2 114.03 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 34.9 t-105 -44.76 -63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.69 -27.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' TRP . 90.5 m -91.25 -40.86 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' HD23 ' A' ' 41' ' ' LEU . 28.2 ttp180 -68.32 -53.66 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.7 p -44.1 -47.28 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.544 ' N ' HG13 ' A' ' 52' ' ' VAL . 82.6 mttt -51.62 -40.82 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.683 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 13.0 mm100 -62.13 -62.12 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.636 HD11 ' OE2' ' A' ' 20' ' ' GLU . 97.2 mt -36.37 -38.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.27 -53.97 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.545 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.6 ptpt -62.06 -50.63 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 24.3 mt -58.22 -25.24 61.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.795 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 70.5 t-105 -84.32 -42.83 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.451 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 64.4 mtt-85 -59.05 -49.21 78.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 8.1 ptmt -49.85 -34.76 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -67.05 136.14 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.2 m -82.15 153.78 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -44.93 -49.86 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -55.03 -28.72 54.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.08 -37.58 33.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 71' ' ' VAL . 37.7 mtt180 -79.36 -17.16 55.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.99 -58.49 0.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.73 . . . . 0.0 111.078 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.2 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.69 -16.33 26.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.4 t -86.39 -36.83 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -81.15 -45.8 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -50.44 -49.16 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.45 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -67.05 -52.22 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -55.71 -38.21 69.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -54.13 -35.94 62.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.415 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 95.3 mtt180 -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -52.47 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.8 m0 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.698 0.285 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -40.01 -41.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -68.48 -47.51 66.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -66.14 -22.91 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 8.4 mm-40 -61.09 -28.99 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.66 -33.15 53.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 19' ' ' GLU . 12.9 mt -69.43 -17.2 63.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 55.31 -117.59 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.65 -16.31 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.424 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.8 mmm -88.83 -10.43 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.29 124.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 72.5 p -82.32 9.89 8.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.856 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.1 t -112.78 154.75 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.772 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -69.99 -57.53 6.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.856 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.4 Cg_endo -69.79 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 3.7 t -58.86 -14.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 tp -94.2 -49.82 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -49.98 -54.09 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 55' ' ' ILE . 12.2 p -58.46 -45.25 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 44.2 m-20 -48.17 -42.44 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.59 -65.09 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 25.6 m-80 -50.29 -52.5 35.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 66.1 m-85 -107.18 84.34 1.66 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -38.69 7.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.42 13.8 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.666 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.67 -56.47 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -41.34 -42.26 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.72 -59.74 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 27.1 mt-10 -49.99 -41.18 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.681 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.4 m-85 -134.96 93.56 17.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.74 -47.69 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.78 115.8 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' ARG . 61.2 t-105 -48.57 -60.44 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -42.32 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' TRP . 94.3 m -99.68 -28.63 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HD2' HD23 ' A' ' 41' ' ' LEU . 48.1 ttp180 -77.05 -50.24 13.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.6 p -44.39 -44.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' N ' HG13 ' A' ' 52' ' ' VAL . 63.3 mttt -54.39 -38.17 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.681 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 19.4 mm100 -67.99 -59.42 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.525 ' HA ' HG21 ' A' ' 34' ' ' THR . 81.9 mt -36.3 -34.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -76.0 -50.83 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -58.94 -37.47 76.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 34.7 mt -76.31 -27.28 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.772 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 72.9 t-105 -78.85 -41.32 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -64.86 -51.51 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -51.99 -22.87 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 134.75 46.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 m -70.36 154.46 41.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.75 -10.99 31.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -90.01 -37.53 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.958 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.9 mtp180 -78.68 -19.81 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.79 -58.66 0.45 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.1 Cg_endo -69.8 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -60.53 -14.36 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 67' ' ' ARG . 84.8 t -86.83 -38.82 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -82.9 -43.33 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -52.89 -47.37 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.48 59.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.19 -41.17 94.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.03 -36.36 83.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.41 -34.98 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.478 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 73.8 mtp180 -62.75 -35.48 79.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.81 -50.47 66.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 25.9 m0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.725 0.298 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -48.33 -31.92 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -75.06 -50.48 16.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -62.2 -29.0 70.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.6 -27.41 39.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -38.43 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 19' ' ' GLU . 11.1 mt -68.72 -14.92 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.02 -115.53 4.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.12 -16.99 36.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.2 mmm -89.19 -3.3 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.9 124.57 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -82.11 17.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -116.93 156.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.1 -58.71 3.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.799 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.0 Cg_endo -69.78 -51.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 3.5 t -56.59 -17.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.0 tp -90.91 -47.48 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.408 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 9.8 t80 -52.05 -56.8 12.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' PHE . 11.4 p -56.99 -47.35 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 74.6 m-20 -46.72 -35.26 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.4 mt -91.41 -64.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -54.02 -51.88 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 89.0 m-85 -109.12 84.4 2.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -43.67 2.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.17 13.53 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.8 tp -45.44 -49.6 13.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -47.92 -39.91 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.71 -60.89 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.471 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 18.3 mt-10 -45.43 -40.47 8.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 13.5 m-85 -134.63 93.81 17.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.9 Cg_endo -69.71 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -67.61 110.64 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' THR . 48.3 t-105 -44.11 -62.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.52 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.8 m -97.44 -37.11 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.557 ' HD2' HD23 ' A' ' 41' ' ' LEU . 2.8 ttp-105 -68.17 -51.27 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -43.97 -41.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.453 ' N ' HG13 ' A' ' 52' ' ' VAL . 36.0 mttm -60.14 -38.13 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.555 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 27.5 mm100 -66.46 -30.7 71.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.3 mt -69.16 -36.81 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.62 -51.32 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.5 ptmm? -58.45 -49.56 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 31.8 mt -64.3 -29.25 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 63.9 t-105 -67.44 -56.86 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -54.29 -51.37 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -38.9 -42.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.25 120.33 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -56.88 155.33 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.42 -44.36 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -59.21 -25.23 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.78 -33.83 40.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.852 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.5 mtp-105 -78.97 -17.72 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.98 -58.63 1.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.8 -51.6 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 47.7 m-85 -59.42 -17.56 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 67' ' ' ARG . 70.0 t -88.17 -35.76 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -81.44 -48.83 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -50.66 -50.98 53.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.81 -46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -64.46 -48.13 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.97 -37.47 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -56.49 -35.09 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -62.51 -41.16 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.65 93.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.484 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 37.5 m0 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.706 0.289 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.81 -28.58 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -82.21 -60.01 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 27' ' ' THR . 3.5 mm-40 -52.64 -32.27 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.589 ' OE2' HD11 ' A' ' 55' ' ' ILE . 5.1 mt-10 -55.55 -37.74 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.75 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 19' ' ' GLU . 19.2 mt -76.66 -12.31 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.88 -119.23 8.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.99 -16.48 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 32.9 mmm -93.99 12.92 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -58.09 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 19' ' ' GLU . 73.2 p -78.69 10.91 2.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.797 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -118.77 157.35 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.858 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.0 -58.33 4.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.797 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.67 -50.63 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 5.8 t -56.69 -16.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.682 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.3 tp -94.35 -53.6 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -44.24 -51.53 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' PHE . 23.0 p -61.91 -50.49 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.53 HD22 ' HB2' ' A' ' 26' ' ' ALA . 76.1 m-20 -42.94 -36.49 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.5 mt -92.68 -62.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.66 -53.38 47.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 94.5 m-85 -106.95 86.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -83.24 11.17 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.694 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.53 -53.75 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -44.34 -39.46 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.55 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 1.9 mp0 -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 3.4 m-85 -134.93 94.13 16.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.3 Cg_endo -69.73 -44.38 2.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.87 112.55 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.47 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 34.8 t-105 -43.03 -62.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -41.01 -28.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.1 m -91.62 -42.17 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.694 ' HD2' HD23 ' A' ' 41' ' ' LEU . 13.6 ttp-105 -65.53 -53.98 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.5 p -43.9 -48.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.549 ' N ' HG13 ' A' ' 52' ' ' VAL . 52.5 mttm -53.86 -37.32 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.557 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 26.4 mm100 -66.44 -62.04 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.589 HD11 ' OE2' ' A' ' 20' ' ' GLU . 80.3 mt -36.23 -33.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -68.71 -62.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.33 -38.15 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 39.4 mt -70.06 -29.42 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.858 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 55.5 t-105 -77.25 -35.86 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -62.69 -54.98 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -42.62 -47.16 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.11 113.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 65' ' ' GLN . 43.4 m -53.28 150.91 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -50.52 -44.34 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' A' ' 63' ' ' SER . 18.9 pm0 -65.12 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.78 -35.56 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.7 mtp180 -79.34 -17.48 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.06 -58.5 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.617 0.723 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.77 -51.45 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -59.31 -16.47 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' ARG . 96.3 t -83.88 -42.85 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -78.52 -43.43 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -49.19 -49.7 41.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.32 -44.68 62.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.63 -45.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.36 -31.8 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 10.8 mtp-105 -64.25 -34.91 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.85 -50.11 58.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 34.8 m0 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.74 0.305 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -51.33 -44.07 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -59.57 -46.19 89.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.788 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.0 mm-40 -70.48 -31.55 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mt-10 -57.32 -30.06 64.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.3 56.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.5 mt -79.05 -12.49 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 52.53 -117.47 6.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.98 -13.71 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.414 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.0 mmm -96.29 8.15 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -52.02 125.71 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 47.0 p -83.31 17.59 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.791 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -126.4 154.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.869 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.48 -56.8 6.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.791 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.75 -46.89 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.394 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.474 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 9.4 t -61.23 -22.5 27.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 29.1 tp -86.74 -53.44 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -43.59 -52.02 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 55' ' ' ILE . 35.4 p -62.28 -44.73 95.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.632 HD22 ' HB2' ' A' ' 26' ' ' ALA . 69.2 m-20 -49.07 -39.92 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -88.47 -65.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 2.4 m-80 -49.24 -53.07 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 78.7 m-85 -106.34 87.27 2.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.9 Cg_endo -69.7 -42.55 3.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.39 12.54 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.55 -55.83 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 15.2 ptpt -42.23 -42.64 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 4.9 mm-40 -61.55 -61.91 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 12.2 mm-40 -45.53 -42.29 10.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.664 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 11.4 m-85 -134.79 93.92 17.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.65 -46.43 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.62 110.0 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . 39.7 t-105 -44.46 -62.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.82 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' TRP . 98.7 m -98.23 -33.57 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HD2' HD23 ' A' ' 41' ' ' LEU . 27.1 ttp180 -71.53 -51.07 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 53' ' ' LYS . 13.6 p -40.23 -50.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.6 ' N ' HG13 ' A' ' 52' ' ' VAL . 40.6 mttt -51.26 -37.41 47.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.664 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 mm100 -65.45 -35.39 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.416 ' HA ' HG21 ' A' ' 34' ' ' THR . 77.7 mt -62.77 -36.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.88 -59.4 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 11.7 ptmt -49.57 -48.77 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.587 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 30.6 mt -62.45 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.869 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 76.2 t-105 -58.75 -43.77 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.442 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 31.2 mtp180 -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -55.97 -40.25 72.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.447 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -61.68 137.69 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 t -78.62 161.25 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -52.64 -53.54 45.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -52.46 -20.3 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -86.72 -38.21 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.952 ' O ' HG23 ' A' ' 71' ' ' VAL . 47.9 mtt180 -78.28 -21.31 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.57 -58.93 0.51 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.74 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -60.05 -15.45 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 67' ' ' ARG . 96.0 t -84.95 -38.64 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -83.62 -45.87 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -49.43 -43.49 44.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.03 -44.58 78.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -65.91 -49.77 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -57.19 -38.32 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 28.5 mtm105 -62.15 -33.2 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.51 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.0 m0 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.739 0.305 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -45.88 -39.25 8.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -69.57 -58.54 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.848 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.2 mm-40 -54.04 -29.0 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HG2' HG13 ' A' ' 31' ' ' VAL . 20.1 mm-40 -59.37 -22.85 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.04 -28.08 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 19' ' ' GLU . 6.4 mt -75.09 -15.64 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.71 -116.74 8.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.51 -9.59 9.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.7 mmm -95.5 -7.17 38.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -38.02 126.0 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 57.0 p -84.87 15.25 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.791 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -120.62 160.21 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.57 -59.11 2.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.68 . . . . 0.0 111.082 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.791 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.2 Cg_endo -69.77 -51.27 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG13 ' HG2' ' A' ' 20' ' ' GLU . 10.8 t -55.05 -21.29 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 20.2 tp -87.81 -49.4 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -48.01 -58.94 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 2.4 p -53.37 -52.25 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.42 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 54.4 m-20 -42.34 -37.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.95 -64.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 5.6 m-80 -53.04 -54.67 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 93.0 m-85 -106.66 86.69 2.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.5 Cg_endo -69.79 -42.87 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -84.56 12.32 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.648 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.9 tp -44.5 -45.05 9.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.05 -35.31 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 30.4 mm-40 -71.99 -54.79 8.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 19.2 mt-10 -52.84 -38.24 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.67 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.1 m-85 -134.86 93.92 17.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.82 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 110.08 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' THR . 47.7 t-105 -44.01 -62.25 1.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -42.55 -23.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' TRP . 72.7 m -95.79 -36.6 11.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.648 ' HD2' HD23 ' A' ' 41' ' ' LEU . 24.1 ttp180 -69.8 -55.29 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.3 p -40.4 -47.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' N ' HG13 ' A' ' 52' ' ' VAL . 29.6 mttm -51.74 -41.33 61.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.67 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 20.4 mm100 -62.0 -59.32 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.425 HG12 HG21 ' A' ' 34' ' ' THR . 68.4 mt -38.51 -35.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -58.13 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 10.7 pttp -55.79 -50.61 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 22.6 mt -59.01 -36.05 74.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.609 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 71.3 t-105 -65.81 -54.27 29.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -56.94 -43.29 81.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -48.68 -42.63 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.68 123.46 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 m -57.7 151.57 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -47.41 -45.12 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.66 -27.12 62.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.63 -36.77 57.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.956 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.1 mtp180 -78.78 -20.44 49.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.62 -58.28 0.55 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.741 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.71 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -60.11 -15.31 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.4 t -85.61 -37.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -83.33 -41.92 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -52.69 -49.31 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.71 -49.04 29.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 -61.09 -46.94 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.51 -36.55 80.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -57.7 -31.87 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.463 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 53.6 mtp180 -68.16 -35.33 77.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.41 -49.84 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.434 ' CD2' HG22 ' A' ' 31' ' ' VAL . 20.0 m0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.699 0.285 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.6 tm-20 -37.2 -42.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -66.11 -47.6 73.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.7 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -66.71 -27.43 67.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HG2' HG13 ' A' ' 31' ' ' VAL . 7.3 mm-40 -58.12 -21.77 48.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.63 21.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.6 mt -68.85 -19.0 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 57.77 -119.54 17.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.08 -14.74 7.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.48 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.7 mmm -87.76 -17.22 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -34.07 118.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 66.1 p -78.09 5.76 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.817 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.3 t -105.24 160.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -74.1 -59.53 1.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.817 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.289 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' A' ' 19' ' ' GLU . 6.2 t -54.97 -19.77 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 15.9 tp -91.21 -48.48 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.455 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t80 -49.96 -56.0 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 55' ' ' ILE . 6.6 p -58.88 -42.96 90.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 46.4 m-20 -48.93 -36.69 17.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -88.97 -65.21 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 35.3 m-80 -50.59 -50.5 53.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 32.9 m-85 -106.64 86.65 2.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -37.45 9.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.76 2.307 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -93.24 15.73 14.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -45.07 -50.43 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -47.97 -56.24 8.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.21 -58.34 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -46.07 -40.93 11.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 39.2 m-85 -134.77 94.29 16.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.7 0.762 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.72 -46.32 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.77 111.07 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.533 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 31.6 t-105 -42.49 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.53 -29.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -90.91 -39.55 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -68.74 -54.77 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.533 ' HB ' ' CZ2' ' A' ' 48' ' ' TRP . 8.9 p -42.28 -45.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 52' ' ' VAL . 64.1 mttt -55.16 -43.55 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm100 -60.3 -32.71 71.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' THR . 96.6 mt -65.38 -37.27 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -53.98 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 8.4 ptmt -56.91 -49.08 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 27.3 mt -65.25 -22.86 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.2 t-105 -81.4 -46.55 14.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.48 -46.9 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -25.99 30.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.66 132.11 44.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -63.32 148.76 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 m -50.44 -44.74 55.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -61.59 -19.48 62.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -80.65 -37.15 31.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.972 ' O ' HG23 ' A' ' 71' ' ' VAL . 20.0 mtp180 -78.17 -22.0 49.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.734 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.74 -58.66 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.04 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 57.0 m-85 -60.66 -15.06 24.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 67' ' ' ARG . 85.3 t -85.4 -37.42 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -85.02 -44.84 12.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -52.62 -44.06 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -47.41 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -63.5 -48.32 78.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.12 -39.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -52.26 -37.55 55.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 45.4 mtt85 -60.05 -45.04 94.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' O ' ' C ' ' A' ' 80' ' ' ALA . . . -55.43 -52.14 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 18.6 m0 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.733 0.301 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -39.92 -35.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -77.51 -57.69 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.842 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.1 mm-40 -56.94 -20.46 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mm-40 -66.12 -21.15 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.52 -24.81 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.842 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.5 mt -78.08 -11.8 59.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.72 -116.01 5.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.6 -13.59 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.6 mmm -95.15 11.92 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -58.06 127.01 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.734 HG23 ' OE2' ' A' ' 19' ' ' GLU . 56.9 p -83.87 21.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.776 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -128.65 156.13 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.59 -57.71 5.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.776 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.1 Cg_endo -69.7 -47.58 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG11 ' HB2' ' A' ' 19' ' ' GLU . 5.3 t -61.64 -16.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 30.1 tp -92.43 -47.14 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.92 -56.64 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.458 ' HB ' HD22 ' A' ' 41' ' ' LEU . 2.6 p -57.16 -51.53 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.441 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 55.4 m-20 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.37 -64.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -52.45 -51.78 57.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 38.9 m-85 -106.79 86.11 2.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.63 10.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -89.72 13.08 15.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' HB ' ' A' ' 34' ' ' THR . 11.8 tp -43.71 -58.23 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.449 ' H ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.02 -58.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.49 -61.68 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 17.3 mt-10 -40.97 -41.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.677 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 14.8 m-85 -134.98 94.05 16.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.27 118.03 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 39.6 t-105 -50.09 -62.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.31 -23.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.7 m -94.15 -43.2 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -64.23 -53.26 51.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 53' ' ' LYS . 10.4 p -43.79 -40.91 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.426 ' N ' HG13 ' A' ' 52' ' ' VAL . 23.6 mttm -61.66 -44.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.677 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 24.5 mm100 -57.44 -42.56 82.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.57 HG22 ' HB2' ' A' ' 30' ' ' PRO . 74.2 mt -56.04 -37.1 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.94 -59.9 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.7 ptmt -52.8 -48.32 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.487 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 19.4 mt -65.82 -26.47 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.823 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 67.7 t-105 -78.91 -39.54 34.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -64.43 -54.18 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 6.1 ptmt -48.52 -33.64 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -61.81 126.77 28.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -64.08 149.36 47.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -47.72 -46.95 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -55.23 -28.34 52.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 6.8 tp10 -76.71 -35.22 57.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.947 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.4 mtp-105 -77.7 -23.96 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.66 -58.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.54 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 66' ' ' GLU . 44.8 m-85 -59.69 -15.83 22.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.4 t -85.48 -37.0 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -84.34 -46.42 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -49.73 -44.68 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.19 -47.49 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -61.97 -46.61 88.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.67 -37.12 86.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -58.93 -29.74 67.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -68.57 -33.63 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.06 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.8 m0 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.753 0.311 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.65 -42.72 25.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -66.36 -56.01 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.776 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -55.0 -34.55 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -52.15 -35.62 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.47 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 19' ' ' GLU . 14.2 mt -70.0 -17.79 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 58.34 -118.96 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -60.12 -13.04 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.0 mmm -90.0 -9.46 48.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -36.52 127.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.712 HG23 ' OE2' ' A' ' 19' ' ' GLU . 43.2 p -85.95 15.4 5.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.838 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -122.55 158.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.885 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.07 -57.12 5.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.838 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.7 Cg_endo -69.74 -44.07 2.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 19' ' ' GLU . 16.7 t -61.92 -22.42 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.9 tp -88.28 -50.81 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -45.44 -56.12 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.609 HG21 ' HA ' ' A' ' 55' ' ' ILE . 3.2 p -60.61 -43.37 97.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.566 ' ND2' ' HB2' ' A' ' 26' ' ' ALA . 49.9 m-20 -49.82 -33.6 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.3 mt -92.35 -62.53 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -53.78 -50.43 66.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 52.2 m-85 -109.29 87.1 4.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.83 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.75 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -83.51 14.06 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -43.88 -57.25 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' H ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -40.05 -60.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.57 -58.68 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm-40 -44.05 -40.3 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.692 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 5.4 m-85 -134.62 93.88 17.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.8 Cg_endo -69.74 -50.31 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.27 . . . . 0.0 112.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.16 115.24 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -49.61 -61.99 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.48 -24.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.3 m -94.61 -35.32 12.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.22 -53.42 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -46.58 -28.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -68.36 -35.81 78.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.692 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 8.1 mm100 -68.74 -58.33 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.609 ' HA ' HG21 ' A' ' 34' ' ' THR . 77.1 mt -40.72 -34.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.93 -55.72 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 19.8 pttt -59.81 -47.61 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.7 mt -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.885 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 71.0 t-105 -77.27 -45.66 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.43 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 29.3 mtp180 -55.26 -53.72 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 58' ' ' LEU . 5.8 ptmt -46.01 -31.84 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.84 138.41 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -87.74 155.14 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -43.49 -56.45 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -27.86 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -81.78 -38.25 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.939 ' O ' HG23 ' A' ' 71' ' ' VAL . 29.1 mtt180 -78.89 -19.6 51.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.18 -58.48 0.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.76 -51.24 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -59.96 -15.29 20.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 67' ' ' ARG . 91.7 t -86.24 -42.93 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.94 -48.69 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -47.35 -52.06 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.47 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 -63.92 -48.23 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.97 -39.03 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -54.49 -34.73 62.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 37.9 mtp180 -66.54 -42.21 87.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.28 -49.3 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.5 m0 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.713 0.292 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 48' ' ' TRP . 5.0 pt-20 -42.79 -36.98 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -60.81 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.688 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -66.65 -36.73 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 31' ' ' VAL . 18.5 mm-40 -46.42 -39.73 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -34.6 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 19' ' ' GLU . 13.2 mt -69.22 -16.46 63.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 56.32 -117.71 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.22 -14.12 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.0 mmm -90.59 -7.16 53.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -39.41 122.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.45 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 69.2 p -84.29 19.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.828 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.1 t -124.82 156.03 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.903 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.07 -57.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.828 ' HD2' HG12 ' A' ' 28' ' ' VAL . 52.9 Cg_endo -69.81 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.296 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 20' ' ' GLU . 5.0 t -58.27 -15.02 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.0 tp -93.9 -55.2 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -42.21 -51.17 4.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.489 HG21 ' HA ' ' A' ' 55' ' ' ILE . 17.3 p -63.48 -47.64 80.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.567 HD22 ' HB2' ' A' ' 26' ' ' ALA . 43.5 m-20 -44.97 -41.94 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -87.34 -65.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -47.94 -52.82 18.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -106.32 88.07 3.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.81 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -90.21 12.58 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.641 HD23 ' HD2' ' A' ' 51' ' ' ARG . 7.1 tp -38.73 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -34.9 -43.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 34.3 mt-10 -57.63 -59.77 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.3 mm-40 -49.67 -42.37 45.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.608 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 5.9 m-85 -134.97 93.58 17.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.6 Cg_endo -69.78 -47.58 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.33 111.26 6.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.3 t-105 -44.43 -62.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -40.56 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 86.2 m -97.86 -34.85 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HD2' HD23 ' A' ' 41' ' ' LEU . 23.8 ttp180 -70.93 -52.45 19.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 53' ' ' LYS . 11.4 p -40.68 -45.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' N ' HG13 ' A' ' 52' ' ' VAL . 31.1 mttm -53.32 -39.03 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.608 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 25.3 mm100 -66.57 -52.23 47.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.489 ' HA ' HG21 ' A' ' 34' ' ' THR . 72.4 mt -46.25 -31.73 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.97 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -53.53 -49.44 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 50.7 mt -58.38 -33.43 69.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.903 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 62.5 t-105 -73.83 -36.17 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 9.7 mmm180 -62.19 -51.2 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -41.38 -47.81 3.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' NE ' ' A' ' 67' ' ' ARG . . . -61.17 129.57 41.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.072 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -78.63 158.57 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.99 -52.7 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.85 -30.41 45.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.58 -36.46 44.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.924 ' O ' HG23 ' A' ' 71' ' ' VAL . 41.0 mtt180 -79.79 -16.91 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.41 -57.94 0.85 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -59.48 -17.11 28.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.8 t -85.82 -40.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -76.77 -48.26 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -49.75 -45.21 49.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.07 -47.28 68.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -63.99 -50.38 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.31 -39.58 76.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.79 -38.96 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.45 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 60.8 mtt180 -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.59 -49.1 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.472 ' HA ' HG21 ' A' ' 31' ' ' VAL . 22.6 m0 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -52.2 -38.51 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -73.69 -52.79 12.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.832 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -59.25 -29.32 67.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' HG13 ' A' ' 31' ' ' VAL . 12.4 mm-40 -58.16 -26.32 62.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -32.78 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 36.9 mt -70.44 -15.32 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.76 -120.74 23.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -59.53 -17.22 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.429 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.5 mmm -85.19 -8.52 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -37.44 130.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.9 p -88.36 8.06 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.847 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -115.76 157.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.761 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.83 -56.64 5.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.847 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 19' ' ' GLU . 19.4 t -64.77 -20.7 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.425 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 24.4 tp -88.39 -49.24 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -49.79 -58.82 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' PHE . 5.9 p -53.25 -53.83 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' A' ' 26' ' ' ALA . 71.1 m-20 -40.47 -37.99 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -88.94 -62.83 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.56 -56.38 15.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 62.9 m-85 -106.73 86.83 2.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -42.31 3.42 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -88.37 17.19 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.792 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.4 tp -43.65 -59.5 2.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 pttp -36.83 -40.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.2 -63.94 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.5 mm-40 -43.03 -44.78 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.9 m-85 -134.81 93.55 17.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.71 -48.49 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.09 113.79 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' THR . 45.0 t-105 -43.56 -65.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.52 -24.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.0 m -93.88 -36.88 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.792 ' HD2' HD23 ' A' ' 41' ' ' LEU . 19.6 ttp180 -70.92 -52.12 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -44.03 -46.57 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.544 ' N ' HG13 ' A' ' 52' ' ' VAL . 45.2 mttm -52.84 -33.93 51.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 30.9 mm100 -69.01 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLN . 68.6 mt -36.47 -32.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -72.5 -49.78 30.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HE3' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.36 -38.5 87.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 35.6 mt -73.15 -33.52 65.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.761 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 68.8 t-105 -69.08 -51.72 35.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -57.73 -50.28 73.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.12 -44.56 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 123.06 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 m -60.01 159.65 9.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 m -51.84 -48.67 63.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -56.16 -18.24 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.49 -39.59 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 15.1 mtp180 -78.5 -20.4 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.83 -58.72 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.529 0.68 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -60.23 -14.53 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 88.1 t -86.56 -37.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -43.37 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -52.56 -48.74 65.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.0 -52.65 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -57.87 -47.73 81.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.4 -40.38 78.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -55.34 -35.2 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -62.28 -38.83 90.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.57 75.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.065 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -88.3 173.23 8.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.844 0.354 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 p -115.54 176.08 5.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.82 -135.26 10.68 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 6' ' ' SER . 92.4 p -116.04 135.09 54.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.878 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 7' ' ' GLY . 75.8 m -35.56 121.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -34.45 121.75 0.41 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.452 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -45.76 110.65 0.27 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.17 82.66 5.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -173.41 106.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -75.27 122.14 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 m -153.51 158.03 40.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 p -58.06 -22.41 50.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.74 -29.3 69.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.9 tttp -86.05 -46.92 10.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 26.4 m0 -41.95 -50.07 4.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -45.65 -37.04 5.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.95 -56.85 4.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.785 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -55.84 -24.63 37.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.494 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 7.9 mm-40 -60.42 -31.63 70.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.25 -30.51 60.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.076 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.785 HD12 ' HA ' ' A' ' 19' ' ' GLU . 8.5 mt -75.0 -13.77 60.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.27 -115.91 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.465 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -60.9 -16.05 37.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.842 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.431 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 33.5 mmm -90.69 2.1 56.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.47 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -49.32 124.44 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.473 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 29.7 p -81.9 17.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -122.05 156.6 26.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.775 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.82 -57.76 4.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.574 0.702 . . . . 0.0 111.125 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.798 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.79 -51.5 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.695 2.263 . . . . 0.0 112.316 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.494 HG11 ' HB2' ' A' ' 19' ' ' GLU . 9.2 t -56.69 -17.09 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 33.1 tp -92.25 -53.31 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -44.25 -54.11 6.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.589 HG21 ' HA ' ' A' ' 55' ' ' ILE . 11.2 p -59.84 -45.58 91.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.173 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 74.6 m-20 -49.61 -33.95 16.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.4 mt -92.58 -65.14 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -50.94 -48.08 60.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -112.76 84.52 6.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.627 0.727 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -38.13 8.21 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.679 2.253 . . . . 0.0 112.371 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -88.37 9.62 22.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.506 HD23 ' HD2' ' A' ' 51' ' ' ARG . 8.2 tp -37.79 -62.81 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LEU . 19.1 ptmt -36.92 -46.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -58.09 -58.1 9.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 14.5 mm-40 -52.38 -40.14 61.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.685 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 10.6 m-85 -134.75 93.73 17.63 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.659 0.743 . . . . 0.0 110.901 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.0 Cg_endo -69.72 -43.85 2.45 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.389 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.12 113.71 10.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.444 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 40.1 t-105 -45.57 -59.78 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -41.5 -26.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 89.9 m -97.11 -36.47 10.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.506 ' HD2' HD23 ' A' ' 41' ' ' LEU . 37.8 ttp180 -68.19 -51.99 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.815 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.505 HG13 ' N ' ' A' ' 53' ' ' LYS . 10.9 p -45.1 -43.97 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 52' ' ' VAL . 33.8 mttm -59.28 -37.88 78.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.685 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 29.9 mm100 -65.38 -31.59 72.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.589 ' HA ' HG21 ' A' ' 34' ' ' THR . 95.3 mt -66.96 -35.94 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.6 -57.76 4.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.1 ptmt -50.64 -48.93 58.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.9 mt -63.28 -38.87 92.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.775 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 75.7 t-105 -63.99 -48.85 74.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 50.1 mtp180 -61.76 -37.19 83.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -55.67 -43.33 76.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -64.13 151.67 42.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 8.5 t -89.88 155.05 19.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.33 -47.91 25.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.898 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -56.8 -25.27 55.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -82.67 -38.13 23.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.897 ' O ' HG23 ' A' ' 71' ' ' VAL . 38.7 mtt180 -79.25 -16.08 57.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.744 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.6 -58.79 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 111.11 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.744 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.71 -51.4 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.665 2.243 . . . . 0.0 112.381 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -59.31 -16.34 21.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 67' ' ' ARG . 75.6 t -84.24 -39.21 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -80.81 -47.18 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.9 tttp -48.01 -48.19 32.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.54 -43.41 62.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.052 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -68.67 -45.8 70.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -64.54 -30.78 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -61.42 -30.42 70.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.473 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 85.3 mtm180 -67.99 -32.3 72.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -71.79 -49.45 38.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.94 -40.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 82' ' ' ARG . 75.8 mt -58.25 -60.97 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -50.04 -48.06 53.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.439 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.3 mp -68.1 -73.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.089 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -54.31 -179.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 21.9 tttt 61.48 39.07 15.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 86' ' ' VAL . 14.1 p -45.41 122.12 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -140.16 146.4 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.961 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.1 tpt -116.88 118.82 33.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 m -122.34 139.64 53.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.9 t30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 p -82.99 91.19 7.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.91 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.4 t -66.44 -52.65 44.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.1 161.42 10.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.532 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -137.57 164.29 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.899 0.381 . . . . 0.0 110.834 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -115.76 115.39 26.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.79 90.07 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -95.77 143.54 26.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.33 139.26 39.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -142.32 109.21 5.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.1 ptt-85 -132.13 141.42 49.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.791 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 t -106.52 97.74 7.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 p -66.14 -13.75 60.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 58.5 mt -76.2 -15.56 60.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -113.24 28.02 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD2' HG22 ' A' ' 31' ' ' VAL . 25.4 m0 -113.78 -39.02 4.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -59.89 -27.61 66.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -80.76 -53.91 6.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.551 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.54 -22.45 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.882 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.48 -32.94 72.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.48 -30.81 63.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.116 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.551 HD12 ' HA ' ' A' ' 19' ' ' GLU . 15.0 mt -74.36 -15.33 60.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.438 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.21 -115.99 5.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.49 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -60.39 -14.49 19.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 110.898 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 31.9 mmm -93.32 1.5 56.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -49.1 125.14 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.455 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 49.5 p -80.79 6.55 12.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.753 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -108.44 159.24 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.83 -59.67 2.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.567 0.699 . . . . 0.0 111.067 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 29' ' ' ALA . 53.5 Cg_endo -69.8 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.671 2.248 . . . . 0.0 112.306 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 16' ' ' TRP . 4.2 t -55.65 -19.73 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.7 tp -90.65 -49.25 6.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -47.93 -56.62 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 22.6 p -58.05 -49.96 75.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 78.2 m-20 -42.66 -34.46 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 43.4 mt -92.58 -63.01 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -52.54 -53.62 43.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.414 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 49.3 m-85 -107.77 85.12 2.26 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.61 0.719 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -40.09 5.75 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.347 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' A' ' 41' ' ' LEU . 71.4 m-20 -85.09 8.17 18.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.47 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -37.25 -53.76 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.937 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -43.33 -51.8 6.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -55.81 -59.77 4.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.8 mt-10 -48.87 -41.29 32.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.669 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 1.9 m-85 -134.91 93.56 17.4 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.737 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.79 -49.87 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.97 120.28 14.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 37.8 t-105 -52.68 -59.33 4.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -43.4 -23.66 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 36.0 m -99.58 -32.21 11.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD2' HD23 ' A' ' 41' ' ' LEU . 39.9 ttp180 -73.37 -51.03 18.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.4 p -47.56 -44.1 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' N ' HG13 ' A' ' 52' ' ' VAL . 85.1 mttt -55.15 -40.17 70.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.669 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 17.0 mm100 -62.87 -59.01 5.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 82.9 mt -38.85 -35.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.105 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.33 -56.34 15.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 26.3 pttt -58.48 -49.67 76.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.528 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 20.9 mt -58.38 -33.62 69.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.673 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.8 t-105 -72.69 -53.34 11.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.425 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 62.1 mtt85 -58.92 -37.08 75.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt -54.67 -39.82 68.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -68.78 146.99 52.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 21.1 m -84.64 156.23 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.57 -49.24 27.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.24 -23.63 37.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -83.91 -35.94 23.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.851 ' O ' HG23 ' A' ' 71' ' ' VAL . 46.8 mtt180 -80.87 -12.55 59.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.709 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -40.62 -57.53 3.06 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.539 0.685 . . . . 0.0 111.072 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.2 Cg_endo -69.79 -48.76 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -61.96 -18.49 60.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 67' ' ' ARG . 69.2 t -84.99 -39.58 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -80.0 -48.78 12.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.0 tttt -49.3 -48.95 45.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.45 -35.88 53.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -73.33 -42.62 62.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -67.81 -34.63 77.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -55.62 -35.19 65.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.455 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 89.2 mtt180 -63.19 -34.84 78.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.681 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -66.72 -50.61 62.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.114 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -44.22 -41.36 5.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.136 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 68.0 mt -56.52 -61.21 2.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 13.2 mtp-105 -45.31 -57.39 4.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -57.15 -64.6 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.101 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 85' ' ' LYS . 65.5 m-80 -64.78 177.84 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.466 ' C ' ' O ' ' A' ' 84' ' ' ASN . 7.6 ptmt 32.62 44.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.2 t -40.71 120.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.148 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -87.96 -59.37 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.1 ptp -69.34 150.08 47.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.1 t -130.34 107.37 9.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 t -90.23 84.85 6.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.905 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -142.68 131.69 23.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.4 65.19 0.38 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.529 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 t -160.99 154.65 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.911 0.386 . . . . 0.0 110.854 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -157.54 160.85 38.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.53 -60.49 0.39 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -79.03 94.31 5.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.851 0.358 . . . . 0.0 110.855 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -148.71 148.45 30.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.056 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -90.98 95.95 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -94.97 83.87 4.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 64.1 m -86.15 79.24 9.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.7 p -128.34 85.34 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.116 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mp -129.32 -57.64 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.3 ttpt -61.45 -38.72 88.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.2 m0 -45.59 -52.26 10.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -50.27 -35.99 29.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -74.1 -55.19 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.735 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -56.02 -33.87 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.467 ' OE1' ' NE ' ' A' ' 51' ' ' ARG . 6.1 mm-40 -51.61 -28.46 14.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 -34.84 55.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.161 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.735 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.3 mt -69.6 -15.82 63.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.419 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.23 -118.47 11.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -59.28 -17.55 29.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 0.0 110.919 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.431 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.3 mmm -86.45 -10.29 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -36.1 123.23 0.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.072 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 66.7 p -82.49 17.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.136 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.796 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -121.88 158.49 25.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.808 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.61 -58.71 3.48 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.61 0.719 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.796 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.8 Cg_endo -69.78 -50.98 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.561 HG11 ' HB2' ' A' ' 19' ' ' GLU . 6.9 t -57.01 -16.01 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.406 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 26.0 tp -94.26 -49.97 5.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.401 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 27.4 t80 -46.85 -54.51 9.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.556 HG21 HG12 ' A' ' 55' ' ' ILE . 3.3 p -58.3 -55.16 38.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 68.7 m-20 -40.53 -35.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.3 mt -90.46 -64.05 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 11.3 m-80 -49.81 -54.6 18.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -106.04 89.07 3.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.667 0.746 . . . . 0.0 110.839 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.403 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.8 Cg_endo -69.78 -36.89 9.94 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.664 2.243 . . . . 0.0 112.34 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.05 14.89 16.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.666 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.3 tp -42.15 -48.49 4.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 pttt -48.42 -44.27 35.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -60.63 -58.76 7.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.49 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 4.3 mp0 -50.3 -41.24 50.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.69 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 4.8 m-85 -134.96 93.81 16.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.677 0.751 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.73 -41.57 4.19 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.39 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -78.55 115.01 17.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.474 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 49.5 t-105 -46.83 -58.26 4.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.7 m -40.76 -30.26 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.5 m -94.16 -34.45 12.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.146 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HD2' HD23 ' A' ' 41' ' ' LEU . 35.4 ttp180 -68.14 -53.19 26.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.474 ' HB ' ' CE2' ' A' ' 48' ' ' TRP . 12.0 p -46.79 -43.15 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.47 ' N ' HG13 ' A' ' 52' ' ' VAL . 36.0 mttm -55.63 -35.93 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.69 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 20.8 mm100 -67.56 -61.8 1.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.556 HG12 HG21 ' A' ' 34' ' ' THR . 61.5 mt -37.5 -34.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.03 -62.63 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.548 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 5.3 ptpt -53.23 -50.7 64.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.548 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 27.8 mt -54.76 -47.0 74.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.808 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.4 t-105 -63.01 -42.63 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 59.3 mtt-85 -62.86 -39.66 95.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -56.59 -43.33 79.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.96 145.11 53.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.4 m -88.05 153.93 20.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 m -43.35 -54.18 4.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -50.06 -30.12 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -78.73 -37.11 42.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.858 ' O ' HG23 ' A' ' 71' ' ' VAL . 42.2 mtt180 -79.69 -13.66 59.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.742 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.65 -58.86 1.21 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.621 0.724 . . . . 0.0 111.105 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.742 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.77 -51.25 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.658 2.238 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -59.17 -17.59 28.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 67' ' ' ARG . 74.9 t -85.22 -37.19 11.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -79.84 -49.59 11.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -48.39 -47.9 37.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.28 -38.87 55.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.109 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.2 mtp180 -70.63 -46.72 62.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -61.89 -35.2 77.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 -58.17 -35.56 71.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 -62.63 -36.32 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.799 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -64.41 -51.11 64.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.9 -42.32 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 82' ' ' ARG . 31.2 mt -67.37 -53.8 26.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' C ' ' O ' ' A' ' 81' ' ' LEU . 6.8 ttt85 -36.12 -59.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.799 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.7 mp -52.78 -47.15 51.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.176 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -91.14 82.74 5.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -171.67 124.0 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.5 t -38.41 101.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -40.24 139.11 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.4 164.67 19.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.2 t -121.71 88.09 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -147.08 149.95 34.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -58.59 -49.46 77.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.0 137.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.483 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -110.74 115.51 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.8 t -129.8 142.69 50.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.74 159.12 29.98 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.445 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -173.27 154.68 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.52 111.73 8.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -168.43 137.69 2.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 mmm-85 -41.67 157.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.7 m -150.74 164.53 35.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 p 54.31 54.79 8.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD12 ' H ' ' A' ' 14' ' ' LEU . 1.5 mp -98.65 -60.69 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.6 tttt -43.93 -42.52 5.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CD2' HG22 ' A' ' 31' ' ' VAL . 16.4 m0 -47.4 -51.54 19.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.7 tp10 -51.85 -26.16 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -86.99 -48.96 7.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' HG11 ' A' ' 31' ' ' VAL . 2.9 mm-40 -64.47 -23.81 67.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.552 ' HG2' HG13 ' A' ' 31' ' ' VAL . 11.3 mm-40 -63.07 -22.93 67.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.42 -30.65 25.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.476 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 17.3 mt -71.37 -15.88 62.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 54.12 -114.47 4.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.481 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -63.0 -11.15 16.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.476 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.6 mmm -95.32 -11.71 27.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.493 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -35.43 125.04 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.441 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 60.5 p -81.82 17.63 1.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.775 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -123.92 157.9 30.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.75 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -71.91 -58.46 3.41 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.574 0.702 . . . . 0.0 111.101 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.775 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.78 -51.12 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.352 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.552 HG13 ' HG2' ' A' ' 20' ' ' GLU . 6.5 t -56.68 -16.03 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.94 HD21 ' HE2' ' A' ' 73' ' ' LYS . 15.0 tp -92.53 -48.93 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -49.88 -57.17 7.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.605 HG21 ' HA ' ' A' ' 55' ' ' ILE . 14.0 p -56.13 -48.93 75.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.426 HD22 ' HB2' ' A' ' 26' ' ' ALA . 60.2 m-20 -44.18 -34.7 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.5 mt -92.64 -61.1 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -53.78 -54.0 44.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' THR . 46.1 m-85 -106.58 86.85 2.4 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.926 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -34.69 14.02 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 50.7 m-80 -90.45 9.56 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 40' ' ' ASN . 13.6 tp -37.02 -46.81 0.68 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -52.57 -58.61 6.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -55.91 -60.48 3.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -43.25 -42.71 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.552 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 21.3 m-85 -134.95 94.25 16.51 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.0 Cg_endo -69.74 -49.14 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.352 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -66.25 114.47 5.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 51' ' ' ARG . 59.3 t-105 -47.43 -62.53 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.66 -27.67 0.06 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 48' ' ' TRP . 93.7 m -95.68 -32.64 12.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.088 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 51.4 ttp180 -71.37 -51.04 26.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.1 p -46.11 -46.5 6.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.537 ' N ' HG13 ' A' ' 52' ' ' VAL . 67.0 mttt -55.32 -50.64 69.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.552 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 21.1 mm100 -52.87 -34.62 55.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.605 ' HA ' HG21 ' A' ' 34' ' ' THR . 96.6 mt -65.4 -40.84 89.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.172 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.5 -59.24 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.49 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 15.6 ptmt -46.57 -47.89 19.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.49 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 27.8 mt -65.66 -36.64 84.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.713 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 72.3 t-105 -61.94 -52.39 64.25 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 47.9 mtm-85 -58.9 -48.76 80.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -44.86 -45.15 10.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.58 127.49 31.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.4 t -60.57 151.59 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -48.31 -49.73 32.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -55.18 -22.71 18.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -79.72 -37.36 35.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.959 ' O ' HG23 ' A' ' 71' ' ' VAL . 8.1 mtp180 -78.91 -19.14 52.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.825 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.46 -58.44 0.52 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.59 0.709 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.0 Cg_endo -69.73 -51.14 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.679 2.253 . . . . 0.0 112.37 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.8 -15.87 23.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.959 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.1 t -83.73 -40.07 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.126 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -79.64 -42.62 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.94 ' HE2' HD21 ' A' ' 32' ' ' LEU . 3.3 ttpt -51.95 -46.05 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.8 -39.25 68.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 36.3 mtp180 -70.77 -44.86 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.09 -36.86 85.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -55.91 -35.79 66.96 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.441 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 74.2 mtt180 -63.49 -40.4 96.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.638 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -61.18 -51.81 67.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.039 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -38.1 -50.84 1.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.1 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 45.4 mt -56.98 -55.75 30.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -44.55 -48.52 10.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.8 mp -68.12 -54.35 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -81.48 78.53 8.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -105.47 132.41 51.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.448 ' O ' HG13 ' A' ' 86' ' ' VAL . 8.5 p -89.95 123.06 41.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -153.12 126.7 8.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.42 -23.37 24.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 p -123.08 144.88 49.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.925 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -157.7 136.5 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 p -148.61 147.25 28.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.816 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.59 69.88 0.13 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.536 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.8 p -132.24 153.7 50.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.918 0.389 . . . . 0.0 110.831 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.5 p -131.72 96.08 3.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.85 -164.84 27.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -100.37 123.78 45.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -86.07 41.35 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -72.27 129.47 38.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttp180 -88.53 129.08 35.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 m -162.27 161.48 27.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.7 p -91.67 -38.9 12.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.149 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.1 mt -42.61 -28.98 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -80.67 -50.66 9.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 28.4 m0 -43.02 -46.3 5.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -51.06 -37.95 48.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -67.38 -49.15 65.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.837 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.6 mm-40 -66.54 -24.62 66.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -61.16 -27.5 68.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.12 -26.41 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.837 HD12 ' HA ' ' A' ' 19' ' ' GLU . 6.6 mt -79.7 -16.24 56.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.39 -112.99 2.65 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -59.82 -19.12 48.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.7 mtp -93.97 12.25 26.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -56.86 126.5 27.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.403 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 35.6 p -84.54 25.96 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.111 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.8 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -132.37 156.16 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.765 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.71 -57.76 5.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.54 0.686 . . . . 0.0 111.08 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.8 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.77 -51.15 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.303 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.425 HG23 ' H ' ' A' ' 31' ' ' VAL . 6.0 t -56.9 -15.35 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.457 HD21 ' HD3' ' A' ' 73' ' ' LYS . 18.4 tp -94.15 -50.76 5.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.973 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -47.32 -53.6 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 38' ' ' PHE . 18.1 p -61.53 -53.17 59.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.129 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.429 HD22 ' HB2' ' A' ' 26' ' ' ALA . 41.5 m-20 -41.51 -39.29 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -89.25 -64.85 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -49.67 -54.51 18.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 87.1 m-85 -106.47 87.54 2.76 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.662 0.744 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -45.38 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.328 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -80.68 8.88 7.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.532 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.12 -59.08 1.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -40.37 -43.86 1.85 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -60.54 -62.16 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 23.2 mt-10 -44.94 -44.01 9.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.689 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.7 m-85 -134.84 93.77 17.33 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.666 0.746 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.2 Cg_endo -69.78 -48.8 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.68 2.253 . . . . 0.0 112.338 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -65.15 108.44 1.86 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' THR . 53.3 t-105 -43.65 -61.93 1.25 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -41.27 -25.4 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.115 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' TRP . 38.1 m -96.13 -38.84 9.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.111 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.532 ' HD2' HD23 ' A' ' 41' ' ' LEU . 5.3 ttp-105 -66.9 -51.87 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.57 HG13 ' N ' ' A' ' 53' ' ' LYS . 7.9 p -39.72 -50.14 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.57 ' N ' HG13 ' A' ' 52' ' ' VAL . 24.1 mttp -50.73 -49.02 58.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.689 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 17.1 mm100 -51.44 -57.51 8.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.3 mt -44.53 -34.8 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.124 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 53' ' ' LYS . . . -65.79 -54.32 28.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.064 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.52 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 18.5 pttt -62.76 -49.15 76.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 50.9 mt -57.86 -34.51 69.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.765 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.0 t-105 -71.86 -51.0 24.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.8 mtt-85 -60.26 -43.23 96.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 24.2 ttmt -49.26 -43.72 43.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.14 148.79 43.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.093 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.7 p -81.73 150.31 28.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.83 -44.53 39.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -60.2 -23.97 64.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -82.22 -34.85 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 9.5 mtp180 -79.45 -18.86 51.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.724 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.7 -57.63 0.74 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.575 0.702 . . . . 0.0 111.082 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.724 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.79 -51.27 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -59.57 -16.67 26.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.927 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.9 t -84.32 -39.85 14.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.095 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -79.3 -46.51 17.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HD3' HD21 ' A' ' 32' ' ' LEU . 40.1 tttp -47.63 -50.35 24.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.65 52.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.3 mtp180 -67.18 -44.04 80.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -63.1 -37.68 88.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -56.05 -35.11 66.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.403 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 52.6 mtp180 -64.6 -33.09 75.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.92 74.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.38 -44.84 65.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.8 mt -50.11 -56.73 9.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.9 mtp85 -50.27 -26.35 4.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 16.6 mm -66.34 -53.81 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -97.54 178.31 5.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 38.15 46.04 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.67 147.26 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -89.58 139.81 30.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.89 147.51 45.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 t -151.15 162.68 40.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -104.38 -48.86 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.904 0.383 . . . . 0.0 110.88 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 t 61.67 44.22 9.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.77 169.0 32.11 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -54.92 -54.28 44.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.86 0.362 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 m -47.24 100.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.98 59.68 0.42 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -104.1 122.42 45.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -167.15 130.55 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -63.14 -49.23 75.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -132.76 137.56 46.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.4 m -141.49 130.92 23.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.5 p -83.9 36.87 0.57 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.156 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.8 mt -102.53 -53.3 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -57.69 -38.55 75.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -45.99 -43.46 14.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.23 -30.25 69.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 mmmm -77.33 -50.42 12.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.2 mm-40 -63.03 -28.72 70.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.575 ' HG2' HG13 ' A' ' 31' ' ' VAL . 7.6 mm-40 -57.0 -29.73 63.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.42 -32.74 58.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 19' ' ' GLU . 17.4 mt -71.16 -15.63 62.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.457 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 55.43 -117.44 8.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.462 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -60.18 -14.83 19.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.451 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.7 mmm -90.76 -6.39 54.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.436 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -40.29 124.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 71.0 p -82.63 14.32 3.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.766 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -119.04 158.18 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.124 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.762 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -71.62 -58.92 3.34 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.616 0.722 . . . . 0.0 111.151 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.766 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.76 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG13 ' HG2' ' A' ' 20' ' ' GLU . 5.2 t -55.71 -21.2 9.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.091 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 18.7 tp -87.99 -49.2 7.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -48.24 -58.89 3.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.7 p -54.75 -50.9 67.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.457 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 70.9 m-20 -43.03 -35.7 1.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 51.3 mt -89.61 -64.83 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -50.92 -54.12 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -110.58 86.64 5.74 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.673 0.749 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -41.22 4.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.638 2.226 . . . . 0.0 112.378 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -86.76 13.48 8.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.678 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.5 tp -39.98 -58.39 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -37.91 -40.97 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.19 -64.23 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.541 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 0.5 OUTLIER -42.84 -43.38 4.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.634 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 3.8 m-85 -134.58 93.76 18.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.685 0.755 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.5 Cg_endo -69.76 -42.25 3.57 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.734 2.289 . . . . 0.0 112.317 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.92 110.14 6.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' THR . 54.0 t-105 -43.35 -63.76 0.76 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.79 -24.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.1 m -97.25 -35.82 10.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.678 ' HD2' HD23 ' A' ' 41' ' ' LEU . 4.6 ttp-105 -70.46 -50.75 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.9 p -44.66 -39.97 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.086 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.419 ' N ' HG13 ' A' ' 52' ' ' VAL . 41.7 mttm -62.83 -33.29 74.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.634 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 29.8 mm100 -69.24 -34.18 74.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.81 -38.0 81.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.68 -57.01 5.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.06 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 13.7 ptmt -52.85 -48.55 66.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.86 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 39.9 mt -64.25 -34.87 79.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.678 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 67.9 t-105 -64.29 -53.88 42.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 12.0 mtp-105 -62.03 -41.88 98.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -47.5 -38.55 14.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.7 137.71 49.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 29.2 t -66.93 155.1 39.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.6 m -51.54 -47.92 63.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -60.87 -11.7 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -88.41 -36.87 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.954 ' O ' HG23 ' A' ' 71' ' ' VAL . 10.5 mtp180 -79.24 -18.31 53.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.01 -58.29 0.6 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.584 0.707 . . . . 0.0 111.112 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.74 -51.18 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.69 2.26 . . . . 0.0 112.346 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -59.83 -15.85 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.954 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.6 t -84.27 -42.74 17.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.02 -43.9 23.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 44.6 tttp -50.31 -49.94 52.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.06 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.092 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.4 mtp85 -71.16 -41.66 70.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -68.19 -35.91 78.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-20 -54.36 -35.31 62.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 81.5 mtm180 -64.64 -33.54 76.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.661 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -67.37 -51.11 56.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -38.6 -46.35 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.21 -52.19 64.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -47.63 -54.3 12.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.661 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.2 mp -51.66 -35.12 16.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -82.92 -16.43 47.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -133.97 99.96 4.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 14.7 p -163.47 151.0 3.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 53.63 33.7 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.8 tpt -90.05 -53.87 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.4 m -88.12 48.26 1.61 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -116.27 111.16 19.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.858 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 m -105.23 170.74 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.72 83.48 0.18 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -120.63 160.08 23.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -107.47 -50.22 3.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.82 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.41 145.46 16.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.454 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.86 134.93 43.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.15 -43.5 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -115.47 150.6 36.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.6 ttp180 -82.02 112.7 19.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.8 t -116.57 160.09 21.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.9 p -83.68 34.33 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.136 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -102.21 -59.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -54.86 -37.28 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -45.05 -60.25 2.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -46.13 -38.0 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -70.68 -42.72 70.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.497 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -70.4 -19.54 63.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HG2' HG13 ' A' ' 31' ' ' VAL . 12.0 mm-40 -65.89 -20.98 66.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.09 -31.75 20.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.88 -20.8 65.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 61.53 -121.64 26.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.486 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -61.12 -11.15 7.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.89 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.45 ' O ' ' C ' ' A' ' 26' ' ' ALA . 4.2 mtp -91.38 -16.7 27.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -33.62 121.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.058 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 62.0 p -78.08 8.79 4.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.153 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.894 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.5 t -110.4 157.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.56 -59.18 2.57 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.565 0.698 . . . . 0.0 111.035 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.894 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.8 Cg_endo -69.68 -50.98 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.687 2.258 . . . . 0.0 112.368 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG13 ' HG2' ' A' ' 20' ' ' GLU . 2.8 t -58.41 -13.69 3.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.171 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 17.7 tp -94.21 -49.41 5.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -51.35 -54.42 26.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 55' ' ' ILE . 22.9 p -57.88 -43.64 86.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 31.5 m-20 -52.1 -30.31 25.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 63.5 mt -91.43 -53.45 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -63.24 -55.47 24.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.417 ' HA ' ' HD2' ' A' ' 39' ' ' PRO . 55.2 m-85 -105.5 90.73 4.27 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 38' ' ' PHE . 54.3 Cg_endo -69.74 -44.66 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.244 . . . . 0.0 112.353 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 41' ' ' LEU . 9.9 m120 -82.95 8.4 12.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.3 tp -37.83 -52.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -44.18 -55.43 4.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.924 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.48 -62.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 11.4 mt-10 -38.37 -41.58 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 4.3 m-85 -134.97 93.62 17.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.602 0.715 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.8 -44.12 2.24 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.298 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.17 108.12 3.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ARG . 50.4 t-105 -44.86 -62.86 1.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -40.44 -26.58 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.433 ' N ' ' O ' ' A' ' 48' ' ' TRP . 97.5 m -93.88 -35.56 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' HD23 ' A' ' 41' ' ' LEU . 2.4 ttp-105 -70.6 -49.84 43.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.8 p -47.83 -25.17 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.1 mttm -76.15 -44.58 37.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 29.8 mm100 -58.79 -32.15 69.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' THR . 80.4 mt -69.1 -34.41 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.133 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.85 -50.08 26.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -60.1 -49.22 78.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.487 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 16.3 mt -63.27 -35.1 79.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.59 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 69.0 t-105 -63.55 -55.51 23.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.3 mtt85 -59.6 -39.75 85.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -49.55 -39.52 34.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.27 138.05 49.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 m -67.19 151.48 47.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.3 m -47.41 -49.11 25.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.863 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -58.38 -22.98 55.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -77.14 -35.16 56.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.938 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.0 mtp180 -80.17 -16.4 54.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.711 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.22 -57.36 1.38 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.063 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.711 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -48.43 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.648 2.232 . . . . 0.0 112.377 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -62.6 -16.62 57.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.5 t -86.35 -37.71 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -81.81 -43.48 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -53.69 -44.33 69.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.51 -48.14 63.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.072 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' HA ' ' NH1' ' A' ' 78' ' ' ARG . 15.2 mtp85 -60.93 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -57.86 -39.72 78.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -52.67 -35.53 55.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' NH1' ' HA ' ' A' ' 75' ' ' ARG . 82.3 mtm-85 -60.67 -39.67 89.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -50.76 72.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.32 -45.85 2.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 49.1 mt -64.98 -51.71 60.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.412 ' HD2' ' C ' ' A' ' 82' ' ' ARG . 3.8 tmm_? -52.9 -43.24 66.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.27 -56.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -61.62 -175.64 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.428 ' HD2' ' C ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER -118.79 18.54 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.871 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 93.0 t -109.03 98.69 7.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.498 ' NE2' ' H ' ' A' ' 87' ' ' GLN . 2.0 pm0 -142.36 158.62 43.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.46 ' N ' ' SD ' ' A' ' 88' ' ' MET . 0.0 OUTLIER -163.59 134.28 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 29.6 t -68.52 -51.16 46.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -160.33 170.95 20.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.361 . . . . 0.0 110.825 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 t -42.29 130.45 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.88 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.87 -95.69 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -108.05 120.54 42.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.877 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 m -94.33 176.4 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.88 126.88 7.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -139.18 174.38 10.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.832 0.349 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -77.0 -62.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -84.63 144.8 28.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -50.57 170.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.3 p -171.31 163.26 7.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.3 p -48.37 -37.4 16.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.172 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.4 mt -43.31 -32.86 0.88 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' NZ ' ' HB3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -85.82 -36.2 20.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -52.8 -57.56 9.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -45.87 -40.32 9.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.82 -51.84 66.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.586 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.2 mm-40 -61.35 -37.84 84.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.538 ' HG2' HG13 ' A' ' 31' ' ' VAL . 14.1 mm-40 -46.88 -31.92 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.924 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.31 -33.47 65.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' ' 19' ' ' GLU . 15.8 mt -68.35 -21.46 64.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.39 -116.08 8.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -65.48 -9.5 26.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.2 mtp -94.82 -9.35 34.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.35 125.34 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.093 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.501 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 51.3 p -82.52 6.6 16.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.812 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -108.82 155.72 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.747 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.97 -57.97 4.52 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.584 0.707 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.812 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.76 -51.1 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.357 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.538 HG13 ' HG2' ' A' ' 20' ' ' GLU . 4.2 t -56.99 -15.01 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -94.13 -52.54 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.95 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -46.35 -53.57 10.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.442 HG21 HG12 ' A' ' 55' ' ' ILE . 19.1 p -60.89 -44.92 96.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -48.31 -34.52 10.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -93.41 -64.51 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -50.26 -51.05 47.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -106.47 87.82 2.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.598 0.713 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -44.48 2.08 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.727 2.285 . . . . 0.0 112.337 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -86.58 14.89 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.526 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.7 tp -43.86 -56.34 3.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 18.5 ptmt -43.66 -44.21 6.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 14.9 mt-10 -62.37 -58.51 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -48.09 -40.0 21.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 4.6 m-85 -133.87 93.36 20.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.628 0.728 . . . . 0.0 110.909 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.4 Cg_endo -69.77 -43.89 2.39 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -75.04 110.97 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.425 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.8 t-105 -44.09 -60.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.73 -26.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 48' ' ' TRP . 49.1 m -95.24 -38.65 10.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.526 ' HD2' HD23 ' A' ' 41' ' ' LEU . 19.1 ttp180 -65.92 -53.51 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.498 HG13 ' N ' ' A' ' 53' ' ' LYS . 11.7 p -46.28 -44.97 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' N ' HG13 ' A' ' 52' ' ' VAL . 38.9 mttm -55.61 -40.82 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.555 ' HG3' ' CE2' ' A' ' 45' ' ' PHE . 21.6 mm100 -62.79 -60.51 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.442 HG12 HG21 ' A' ' 34' ' ' THR . 72.3 mt -39.11 -32.14 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.38 -56.76 10.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.502 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -60.52 -48.46 81.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 22.7 mt -57.14 -35.48 69.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.747 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 74.5 t-105 -74.32 -46.07 43.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.421 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 24.4 mtp180 -59.78 -40.23 87.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -54.66 -42.86 71.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.88 138.14 58.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.3 m -80.15 156.97 26.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -47.45 -47.42 27.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -58.17 -24.89 60.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.936 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -82.26 -37.6 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.909 ' O ' HG23 ' A' ' 71' ' ' VAL . 31.1 mtt180 -79.39 -16.06 56.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.7 -58.62 0.83 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.573 0.702 . . . . 0.0 111.104 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.77 -51.23 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -59.54 -16.44 24.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.909 HG23 ' O ' ' A' ' 67' ' ' ARG . 79.6 t -85.81 -39.08 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -79.23 -47.18 16.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.0 tttt -48.67 -51.37 28.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.501 ' HB1' ' O ' ' A' ' 27' ' ' THR . . . -49.06 -38.53 24.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -70.18 -45.03 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -62.3 -37.19 84.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -55.57 -37.53 68.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 40.5 mtp180 -59.46 -39.87 85.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.739 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -59.78 -49.76 76.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.103 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -42.2 -46.22 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 46.0 mt -62.72 -55.24 28.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 12.2 ttm105 -41.36 -51.8 3.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.739 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -65.49 -56.74 13.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -65.39 88.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -142.62 158.14 43.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.3 t -46.95 111.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -57.39 147.05 27.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.4 tpt 62.42 48.78 4.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.9 m -163.86 171.06 15.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -65.35 154.83 37.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -86.67 -57.01 3.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.91 -162.71 28.34 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.4 p -131.48 152.55 50.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.7 t -50.82 152.15 2.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.47 -135.24 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -161.11 114.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.835 0.35 . . . . 0.0 110.9 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.71 173.1 11.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -112.41 83.46 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -67.74 153.69 43.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.794 ' HB2' HD11 ' A' ' 14' ' ' LEU . 9.1 m -101.92 26.37 7.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.9 p 51.62 51.07 17.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.794 HD11 ' HB2' ' A' ' 12' ' ' SER . 0.7 OUTLIER -95.42 -55.29 3.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.2 mmmt -44.74 -40.24 5.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 21.3 m0 -62.48 -59.47 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -45.59 -32.3 2.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -79.18 -45.81 19.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.672 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -67.2 -23.18 65.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.441 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 8.0 mm-40 -59.97 -19.33 51.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 -40.4 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.085 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' CD ' ' A' ' 19' ' ' GLU . 17.7 mt -60.0 -26.29 65.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.418 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 66.29 -119.32 12.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -60.2 -15.12 21.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.3 mtp -89.87 -8.22 52.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -40.52 120.23 1.22 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.411 ' O ' ' HB1' ' A' ' 74' ' ' ALA . 50.3 p -76.6 5.31 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.89 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.5 t -106.79 158.16 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.087 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.767 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -73.07 -59.11 2.27 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.619 0.723 . . . . 0.0 111.131 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.89 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.76 -51.79 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.71 2.274 . . . . 0.0 112.342 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.421 ' H ' HG23 ' A' ' 31' ' ' VAL . 3.2 t -55.96 -18.24 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.137 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.444 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 19.6 tp -90.44 -50.24 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 5.3 t80 -49.97 -55.82 13.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.7 p -58.13 -42.24 85.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.46 HD22 ' HB2' ' A' ' 26' ' ' ALA . 29.7 m-20 -52.02 -33.59 39.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -90.4 -60.71 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 11.4 m-80 -55.45 -50.86 68.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -105.34 90.99 4.31 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.639 0.733 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.5 Cg_endo -69.75 -40.49 5.28 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.667 2.245 . . . . 0.0 112.361 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -96.01 19.57 11.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tp -43.37 -47.3 6.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.4 mtmt -51.68 -51.86 52.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -53.91 -57.96 9.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 2.2 mp0 -48.77 -41.28 31.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.564 ' CZ ' ' HG3' ' A' ' 54' ' ' GLN . 16.3 m-85 -135.0 93.65 17.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.69 -44.74 1.94 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.707 2.271 . . . . 0.0 112.364 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -69.91 107.66 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 51.1 t-105 -44.4 -63.8 0.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -42.01 -25.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.157 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' TRP . 74.1 m -94.16 -36.6 11.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.3 ttp-105 -71.49 -51.76 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 55' ' ' ILE . 9.1 p -41.25 -29.65 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -69.16 -45.27 70.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.564 ' HG3' ' CZ ' ' A' ' 45' ' ' PHE . 28.9 mm100 -59.2 -31.22 68.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 52' ' ' VAL . 88.5 mt -68.51 -34.77 67.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.479 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 7.5 ptmm? -66.67 -49.28 66.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.927 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 38.2 mt -63.67 -25.89 68.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.685 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.0 t-105 -79.89 -45.48 18.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.4 mtt180 -64.12 -49.67 71.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -52.66 -28.49 21.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.01 131.56 45.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.106 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.5 p -62.5 149.07 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.1 m -49.41 -47.17 48.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 -58.76 -21.32 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -77.82 -39.12 44.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 15.1 mtp180 -77.72 -22.74 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.752 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.31 -59.09 0.4 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 111.123 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.752 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.78 -51.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.368 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 53.2 m-85 -60.17 -14.59 18.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 88.8 t -86.18 -37.83 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.133 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.7 tp60 -83.18 -43.98 15.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -54.02 -44.01 70.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 27' ' ' THR . . . -54.24 -40.02 67.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.076 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -67.6 -45.2 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -62.79 -38.09 89.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -53.84 -34.92 60.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.8 mtm105 -61.7 -40.91 96.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.632 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -59.88 -52.14 66.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -37.21 -46.61 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.13 -56.07 15.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -42.18 -43.83 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.7 mp -73.1 -56.99 7.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.8 p30 43.24 48.86 5.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 41.3 mtpt 45.4 49.95 10.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 p -85.12 -14.38 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -89.52 44.82 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.2 mmt -85.27 -46.21 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.6 t -41.88 -38.7 1.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.812 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 -179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.6 m -106.51 116.3 31.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.8 p -118.5 131.25 56.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.26 178.57 47.89 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -70.37 106.7 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.883 0.373 . . . . 0.0 110.835 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -127.36 168.01 15.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.875 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.32 170.09 13.14 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 9' ' ' ALA . 46.6 m-80 -62.06 87.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.36 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' ASN . . . -37.53 -51.52 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -82.28 101.85 10.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -94.53 174.51 7.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 m -85.91 -177.55 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 14' ' ' LEU . 68.1 p -45.48 -39.21 7.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.153 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 13' ' ' THR . 21.1 mt -35.68 -35.28 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 13' ' ' THR . 2.9 tmtm? -63.27 -56.7 14.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLU . 32.4 m0 -39.68 -55.74 1.84 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.5 tp10 -37.03 -39.24 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -64.04 -51.93 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.637 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -63.15 -31.98 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.636 ' OE2' HD11 ' A' ' 55' ' ' ILE . 3.7 mm-40 -53.0 -27.35 18.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.83 -32.86 40.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.637 HD12 ' HA ' ' A' ' 19' ' ' GLU . 10.1 mt -73.86 -15.23 61.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.429 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 53.86 -116.23 5.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.485 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -59.29 -17.44 28.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.928 0.394 . . . . 0.0 110.945 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.479 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 27.0 mmm -87.73 -9.83 52.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -40.99 122.77 1.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.103 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.415 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 59.4 p -83.46 24.27 0.85 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.107 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.816 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -124.45 157.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.795 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.93 -58.5 3.37 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.105 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.816 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.0 Cg_endo -69.73 -51.48 0.39 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.738 2.292 . . . . 0.0 112.359 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 31' ' ' VAL . 4.3 t -56.1 -19.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.3 tp -89.85 -55.05 3.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -43.72 -55.12 4.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.946 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.565 HG21 ' HA ' ' A' ' 55' ' ' ILE . 12.5 p -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' A' ' 26' ' ' ALA . 38.0 m-20 -49.64 -34.04 17.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.5 mt -91.68 -65.22 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -50.96 -47.83 61.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' CE1' HD13 ' A' ' 58' ' ' LEU . 86.2 m-85 -106.85 88.25 3.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.623 0.725 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -46.34 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 41' ' ' LEU . 1.4 p30 -85.75 10.55 13.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.448 HD23 ' HD2' ' A' ' 51' ' ' ARG . 8.2 tp -38.25 -48.49 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.419 ' HG2' ' NH1' ' A' ' 51' ' ' ARG . 23.6 mtpp -46.84 -54.79 9.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -55.59 -59.53 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 13.6 mm-40 -45.01 -41.94 7.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.683 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 8.6 m-85 -134.39 93.6 18.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.663 0.744 . . . . 0.0 110.846 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.6 Cg_endo -69.77 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.739 2.293 . . . . 0.0 112.315 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -69.2 114.03 7.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.513 ' CE2' ' HB ' ' A' ' 52' ' ' VAL . 34.9 t-105 -44.76 -63.7 0.86 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.1 m -40.69 -27.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.148 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' TRP . 90.5 m -91.25 -40.86 11.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' HD23 ' A' ' 41' ' ' LEU . 28.2 ttp180 -68.32 -53.66 22.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.7 p -44.1 -47.28 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' N ' HG13 ' A' ' 52' ' ' VAL . 82.6 mttt -51.62 -40.82 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.683 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 13.0 mm100 -62.13 -62.12 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.636 HD11 ' OE2' ' A' ' 20' ' ' GLU . 97.2 mt -36.37 -38.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.27 -53.97 44.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.091 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.545 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.6 ptpt -62.06 -50.63 71.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.545 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 24.3 mt -58.22 -25.24 61.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.795 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 70.5 t-105 -84.32 -42.83 15.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.451 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 64.4 mtt-85 -59.05 -49.21 78.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 8.1 ptmt -49.85 -34.76 20.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -67.05 136.14 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.2 m -82.15 153.78 25.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -44.93 -49.86 10.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -55.03 -28.72 54.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -80.08 -37.58 33.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.908 ' O ' HG23 ' A' ' 71' ' ' VAL . 37.7 mtt180 -79.36 -17.16 55.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.736 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.99 -58.49 0.71 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.634 0.73 . . . . 0.0 111.078 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.736 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.2 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.275 . . . . 0.0 112.356 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -59.69 -16.33 26.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.4 t -86.39 -36.83 10.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.0 tp60 -81.15 -45.8 15.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.4 tttp -50.44 -49.16 55.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.14 -40.45 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -67.05 -52.22 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -55.71 -38.21 69.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -54.13 -35.94 62.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.415 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 95.3 mtt180 -63.46 -42.73 98.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -59.59 -52.47 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -37.12 -44.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -70.66 -46.01 64.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -47.65 -49.95 25.92 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.504 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.2 mp -60.13 -51.03 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -56.13 -41.97 76.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -70.92 139.99 50.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.414 HG22 ' H ' ' A' ' 86' ' ' VAL . 3.6 m -74.75 126.93 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.18 168.06 10.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 9.5 mmt -142.22 158.73 43.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 45.6 t -130.06 137.88 50.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -170.66 124.29 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -50.62 130.05 23.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.6 46.43 3.64 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -129.78 110.65 11.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 0.0 110.87 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -98.23 149.64 22.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.45 -133.7 11.86 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.463 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -68.08 103.83 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.833 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -82.97 131.77 35.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -92.95 45.01 1.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.15 176.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.424 ' HB3' HD11 ' A' ' 14' ' ' LEU . 5.6 t -155.65 174.39 15.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.838 -179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.465 HG21 HG21 ' A' ' 52' ' ' VAL . 70.4 p -98.26 100.3 11.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.146 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD11 ' HB3' ' A' ' 12' ' ' SER . 0.8 OUTLIER -127.09 -32.04 2.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.931 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -77.87 -37.61 47.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -51.87 -61.17 2.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.939 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -40.01 -41.46 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -68.48 -47.51 66.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.654 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -66.14 -22.91 66.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.501 ' OE1' ' CZ ' ' A' ' 51' ' ' ARG . 8.4 mm-40 -61.09 -28.99 69.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.66 -33.15 53.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 19' ' ' GLU . 12.9 mt -69.43 -17.2 63.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.417 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 55.31 -117.59 8.73 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.493 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -59.65 -16.31 25.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.424 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.8 mmm -88.83 -10.43 48.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -37.29 124.24 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.478 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 72.5 p -82.32 9.89 8.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.146 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.856 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.1 t -112.78 154.75 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.772 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -69.99 -57.53 6.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.627 0.727 . . . . 0.0 111.078 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.856 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.4 Cg_endo -69.79 -50.22 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.68 2.254 . . . . 0.0 112.3 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 3.7 t -58.86 -14.93 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 tp -94.2 -49.82 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.432 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 11.0 t80 -49.98 -54.09 22.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.525 HG21 ' HA ' ' A' ' 55' ' ' ILE . 12.2 p -58.46 -45.25 88.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 44.2 m-20 -48.17 -42.44 29.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.4 mt -84.59 -65.09 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.432 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 25.6 m-80 -50.29 -52.5 35.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 34' ' ' THR . 66.1 m-85 -107.18 84.34 1.66 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.651 0.739 . . . . 0.0 110.842 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -38.69 7.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -90.42 13.8 14.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.666 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.67 -56.47 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -41.34 -42.26 2.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.72 -59.74 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.871 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 27.1 mt-10 -49.99 -41.18 46.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.934 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.681 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.4 m-85 -134.96 93.56 17.26 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.74 -47.69 0.88 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.298 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.78 115.8 11.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' ARG . 61.2 t-105 -48.57 -60.44 2.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.6 m -42.32 -24.03 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.182 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 48' ' ' TRP . 94.3 m -99.68 -28.63 13.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.666 ' HD2' HD23 ' A' ' 41' ' ' LEU . 48.1 ttp180 -77.05 -50.24 13.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.6 p -44.39 -44.36 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' N ' HG13 ' A' ' 52' ' ' VAL . 63.3 mttt -54.39 -38.17 65.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.681 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 19.4 mm100 -67.99 -59.42 3.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.525 ' HA ' HG21 ' A' ' 34' ' ' THR . 81.9 mt -36.3 -34.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -76.0 -50.83 13.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.482 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -58.94 -37.47 76.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.482 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 34.7 mt -76.31 -27.28 56.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.772 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 72.9 t-105 -78.85 -41.32 30.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -64.86 -51.51 61.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 12.7 ptpt -51.99 -22.87 4.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.91 134.75 46.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.8 m -70.36 154.46 41.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -54.37 -44.36 72.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -64.75 -10.99 31.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -90.01 -37.53 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.958 ' O ' HG23 ' A' ' 71' ' ' VAL . 17.9 mtp180 -78.68 -19.81 51.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.79 -58.66 0.45 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.588 0.709 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.1 Cg_endo -69.8 -51.0 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.337 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -60.53 -14.36 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 67' ' ' ARG . 84.8 t -86.83 -38.82 12.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -82.9 -43.33 16.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -52.89 -47.37 67.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.48 59.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -65.19 -41.17 94.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.03 -36.36 83.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -58.41 -34.98 71.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.478 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 73.8 mtp180 -62.75 -35.48 79.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.796 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -64.81 -50.47 66.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.075 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -41.14 -46.21 2.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.9 -50.99 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.0 ttm180 -41.18 -55.21 2.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.796 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.8 mp -60.8 -43.35 95.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -92.59 94.23 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -60.28 98.36 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.8 m -118.36 168.19 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -71.62 97.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 27.9 ptm -145.41 159.94 42.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.94 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.7 m -136.79 129.77 30.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.1 m120 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.885 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -79.27 87.16 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.4 p -155.83 172.4 18.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.83 108.96 0.87 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 t -124.77 150.73 45.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.8 m -79.71 -52.79 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.881 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.03 109.32 1.08 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.48 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -60.41 113.81 2.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.55 159.6 16.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -82.04 160.14 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.1 mmt85 -70.93 87.78 0.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.802 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -111.4 167.02 10.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.0 p -93.27 -27.72 16.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.611 HD12 ' H ' ' A' ' 14' ' ' LEU . 5.5 mp -51.82 -17.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -96.81 -40.15 9.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -50.86 -51.31 52.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -48.33 -31.92 6.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 mmmt -75.06 -50.48 16.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -62.2 -29.0 70.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.6 -27.41 39.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.9 -38.43 32.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 19' ' ' GLU . 11.1 mt -68.72 -14.92 63.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.459 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.02 -115.53 4.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -60.12 -16.99 36.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.458 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.2 mmm -89.19 -3.3 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.9 124.57 10.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.3 p -82.11 17.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.799 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -116.93 156.38 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.751 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.1 -58.71 3.12 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.659 0.742 . . . . 0.0 111.125 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.799 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.0 Cg_endo -69.78 -51.33 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.346 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 3.5 t -56.59 -17.39 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.0 tp -90.91 -47.48 7.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.408 ' HD2' ' CE2' ' A' ' 70' ' ' TYR . 9.8 t80 -52.05 -56.8 12.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' PHE . 11.4 p -56.99 -47.35 81.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 74.6 m-20 -46.72 -35.26 5.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.4 mt -91.41 -64.23 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.129 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -54.02 -51.88 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 89.0 m-85 -109.12 84.4 2.75 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -43.67 2.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.348 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -84.17 13.53 5.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.557 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.8 tp -45.44 -49.6 13.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -47.92 -39.91 20.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -66.71 -60.89 2.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.471 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 18.3 mt-10 -45.43 -40.47 8.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.555 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 13.5 m-85 -134.63 93.81 17.85 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.603 0.716 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.9 Cg_endo -69.71 -48.47 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -67.61 110.64 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 50' ' ' THR . 48.3 t-105 -44.11 -62.88 1.0 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -40.52 -25.06 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.8 m -97.44 -37.11 10.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.16 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.557 ' HD2' HD23 ' A' ' 41' ' ' LEU . 2.8 ttp-105 -68.17 -51.27 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -43.97 -41.64 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.453 ' N ' HG13 ' A' ' 52' ' ' VAL . 36.0 mttm -60.14 -38.13 82.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.555 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 27.5 mm100 -66.46 -30.7 71.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.3 mt -69.16 -36.81 74.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.62 -51.32 23.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.488 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 4.5 ptmm? -58.45 -49.56 76.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 31.8 mt -64.3 -29.25 70.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.657 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 63.9 t-105 -67.44 -56.86 7.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -54.29 -51.37 64.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.6 mtmm -38.9 -42.96 0.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.25 120.33 13.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.089 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.7 m -56.88 155.33 8.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 m -48.42 -44.36 35.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.0 mp0 -59.21 -25.23 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -79.78 -33.83 40.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.852 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.5 mtp-105 -78.97 -17.72 54.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.735 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -37.98 -58.63 1.37 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.578 0.704 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.735 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.8 -51.6 0.37 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 47.7 m-85 -59.42 -17.56 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 67' ' ' ARG . 70.0 t -88.17 -35.76 8.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.082 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -81.44 -48.83 11.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -50.66 -50.98 53.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.81 -46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.103 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -64.46 -48.13 76.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -58.97 -37.47 76.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -56.49 -35.09 67.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -62.51 -41.16 98.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.59 -44.65 93.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -51.42 -48.05 62.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.0 mt -59.25 -38.27 79.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.01 -22.27 66.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.831 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 19.6 mm -66.36 -63.29 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -86.49 169.57 12.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.98 113.01 18.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.4 m -114.02 156.99 14.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -79.93 81.62 6.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.427 ' C ' ' SD ' ' A' ' 88' ' ' MET . 9.8 tmm? -131.04 107.81 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.1 t -65.0 117.77 8.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -77.21 168.16 20.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -143.75 176.26 9.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.8 -171.02 23.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.497 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 m -154.42 174.79 14.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.878 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.6 p -96.71 174.92 6.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.48 153.65 25.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -120.85 164.95 15.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.866 0.365 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.6 90.38 7.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -153.89 159.9 41.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -85.87 99.52 11.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.5 p -172.3 177.89 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -55.71 -35.89 66.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.0 mt -54.77 -23.32 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.9 tptm -85.14 -41.82 15.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.484 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 37.5 m0 -51.72 -37.48 51.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.81 -28.58 56.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -82.21 -60.01 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.777 ' OE1' HG23 ' A' ' 27' ' ' THR . 3.5 mm-40 -52.64 -32.27 41.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.589 ' OE2' HD11 ' A' ' 55' ' ' ILE . 5.1 mt-10 -55.55 -37.74 68.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.66 -28.75 65.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.08 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.692 HD12 ' HA ' ' A' ' 19' ' ' GLU . 19.2 mt -76.66 -12.31 59.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 51.88 -119.23 8.34 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.503 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -55.99 -16.48 4.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.909 0.385 . . . . 0.0 110.938 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.426 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 32.9 mmm -93.99 12.92 24.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -58.09 121.88 11.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.777 HG23 ' OE1' ' A' ' 19' ' ' GLU . 73.2 p -78.69 10.91 2.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.797 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.9 OUTLIER -118.77 157.35 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.142 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.858 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.0 -58.33 4.21 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.614 0.721 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.797 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.5 Cg_endo -69.67 -50.63 0.46 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.484 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 5.8 t -56.69 -16.21 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.682 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.3 tp -94.35 -53.6 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -44.24 -51.53 8.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' PHE . 23.0 p -61.91 -50.49 71.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.144 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.53 HD22 ' HB2' ' A' ' 26' ' ' ALA . 76.1 m-20 -42.94 -36.49 1.55 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 71.5 mt -92.68 -62.53 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -52.66 -53.38 47.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.532 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 94.5 m-85 -106.95 86.3 2.32 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.741 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -44.27 2.19 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -83.24 11.17 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.694 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.2 tp -42.53 -53.75 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.8 pttt -44.34 -39.46 4.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -65.55 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.508 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 1.9 mp0 -42.71 -44.02 4.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.557 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 3.4 m-85 -134.93 94.13 16.7 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.857 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.3 Cg_endo -69.73 -44.38 2.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.699 2.266 . . . . 0.0 112.336 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.87 112.55 7.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.47 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 34.8 t-105 -43.03 -62.46 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 m -41.01 -28.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.1 m -91.62 -42.17 10.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.694 ' HD2' HD23 ' A' ' 41' ' ' LEU . 13.6 ttp-105 -65.53 -53.98 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 53' ' ' LYS . 12.5 p -43.9 -48.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.549 ' N ' HG13 ' A' ' 52' ' ' VAL . 52.5 mttm -53.86 -37.32 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.557 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 26.4 mm100 -66.44 -62.04 1.67 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.589 HD11 ' OE2' ' A' ' 20' ' ' GLU . 80.3 mt -36.23 -33.37 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -68.71 -62.71 1.27 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -55.33 -38.15 68.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.532 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 39.4 mt -70.06 -29.42 66.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.858 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 55.5 t-105 -77.25 -35.86 54.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -62.69 -54.98 31.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.7 ttmm -42.62 -47.16 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.11 113.63 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 65' ' ' GLN . 43.4 m -53.28 150.91 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.5 m -50.52 -44.34 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.439 ' CD ' ' HB3' ' A' ' 63' ' ' SER . 18.9 pm0 -65.12 -18.91 65.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -83.78 -35.56 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.953 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.7 mtp180 -79.34 -17.48 54.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.739 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -34.06 -58.5 0.6 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.617 0.723 . . . . 0.0 111.087 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.739 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.77 -51.45 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.718 2.279 . . . . 0.0 112.327 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -59.31 -16.47 22.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 67' ' ' ARG . 96.3 t -83.88 -42.85 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -78.52 -43.43 26.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -49.19 -49.7 41.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.32 -44.68 62.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.9 mtt-85 -66.63 -45.17 79.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.36 -31.8 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -60.07 -34.08 72.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 78' ' ' ARG . 10.8 mtp-105 -64.25 -34.91 79.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.751 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -67.85 -50.11 58.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.086 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.18 -42.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.7 mt -65.2 -53.62 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -40.77 -61.84 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.751 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.4 mp -45.23 -64.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 85' ' ' LYS . 70.2 m-80 -43.56 110.34 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 84' ' ' ASN . 17.3 pttp -34.94 150.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 p -171.49 143.96 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -87.61 44.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.4 ttt -91.92 139.08 31.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.2 t -126.21 161.04 28.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -91.87 125.09 36.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.902 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.9 p -166.25 122.88 1.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.831 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.19 62.91 2.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 p -45.65 116.17 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.889 0.376 . . . . 0.0 110.873 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -89.18 52.57 2.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.7 -52.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.46 105.84 7.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.866 0.365 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 115.65 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -109.18 163.74 13.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.4 mmm-85 -43.3 117.82 1.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 t -162.39 -175.43 4.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.9 p -53.1 -37.3 61.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 mt -50.94 -22.31 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 tmtm? -85.33 -51.13 6.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.474 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 34.8 m0 -40.65 -39.28 1.04 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.978 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -51.33 -44.07 61.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.473 ' HE3' ' N ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -59.57 -46.19 89.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.788 ' HA ' HD12 ' A' ' 22' ' ' LEU . 4.0 mm-40 -70.48 -31.55 68.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.411 ' OE1' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mt-10 -57.32 -30.06 64.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.89 -26.3 56.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.07 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.5 mt -79.05 -12.49 60.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 52.53 -117.47 6.47 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -58.98 -13.71 7.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.354 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.414 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 30.0 mmm -96.29 8.15 44.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -52.02 125.71 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.049 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 47.0 p -83.31 17.59 2.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.791 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -126.4 154.96 36.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.164 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.869 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.48 -56.8 6.17 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.589 0.709 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.791 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.6 Cg_endo -69.75 -46.89 1.06 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.631 2.221 . . . . 0.0 112.394 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.474 ' CG2' ' CG ' ' A' ' 16' ' ' TRP . 9.4 t -61.23 -22.5 27.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.529 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 29.1 tp -86.74 -53.44 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -43.59 -52.02 6.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 55' ' ' ILE . 35.4 p -62.28 -44.73 95.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.632 HD22 ' HB2' ' A' ' 26' ' ' ALA . 69.2 m-20 -49.07 -39.92 29.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.2 mt -88.47 -65.34 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.401 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 2.4 m-80 -49.24 -53.07 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.587 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 78.7 m-85 -106.34 87.27 2.52 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.624 0.726 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.9 Cg_endo -69.7 -42.55 3.36 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.688 2.258 . . . . 0.0 112.348 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -89.39 12.54 16.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 51' ' ' ARG . 6.6 tp -40.55 -55.83 2.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 43' ' ' GLU . 15.2 ptpt -42.23 -42.64 3.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.416 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 4.9 mm-40 -61.55 -61.91 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 12.2 mm-40 -45.53 -42.29 10.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.664 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 11.4 m-85 -134.79 93.92 17.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.684 0.754 . . . . 0.0 110.89 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.4 Cg_endo -69.65 -46.43 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -70.62 110.0 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' THR . 39.7 t-105 -44.46 -62.48 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.82 -25.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 48' ' ' TRP . 98.7 m -98.23 -33.57 11.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HD2' HD23 ' A' ' 41' ' ' LEU . 27.1 ttp180 -71.53 -51.07 25.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.6 HG13 ' N ' ' A' ' 53' ' ' LYS . 13.6 p -40.23 -50.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.6 ' N ' HG13 ' A' ' 52' ' ' VAL . 40.6 mttt -51.26 -37.41 47.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.664 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 26.0 mm100 -65.45 -35.39 80.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.416 ' HA ' HG21 ' A' ' 34' ' ' THR . 77.7 mt -62.77 -36.98 77.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.149 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.88 -59.4 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.495 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 11.7 ptmt -49.57 -48.77 48.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.587 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 30.6 mt -62.45 -46.47 88.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.869 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 76.2 t-105 -58.75 -43.77 90.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.939 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.442 ' O ' ' NH2' ' A' ' 67' ' ' ARG . 31.2 mtp180 -62.87 -42.39 99.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.1 ttpm? -55.97 -40.25 72.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.447 ' O ' ' NH2' ' A' ' 67' ' ' ARG . . . -61.68 137.69 58.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.079 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 t -78.62 161.25 27.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -52.64 -53.54 45.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -52.46 -20.3 2.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -86.72 -38.21 17.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.952 ' O ' HG23 ' A' ' 71' ' ' VAL . 47.9 mtt180 -78.28 -21.31 49.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.835 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.731 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.57 -58.93 0.51 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.582 0.706 . . . . 0.0 111.064 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.731 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.74 -51.14 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.663 2.242 . . . . 0.0 112.358 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -60.05 -15.45 23.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 67' ' ' ARG . 96.0 t -84.95 -38.64 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -83.62 -45.87 13.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -49.43 -43.49 44.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.03 -44.58 78.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.0 mtp85 -65.91 -49.77 66.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -59.9 -35.28 74.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -57.19 -38.32 73.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 78' ' ' ARG . 28.5 mtm105 -62.15 -33.2 74.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.14 -46.51 67.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.25 -41.98 63.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.083 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.0 mt -50.89 -58.3 6.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.41 -30.04 3.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 11.4 mm -63.57 -51.9 64.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -95.94 104.85 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -74.21 107.54 6.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 33.5 m -103.44 38.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.133 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -165.03 151.7 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.3 mmt -78.18 53.18 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 50.7 p -157.39 130.2 7.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.86 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.2 t30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -125.53 92.27 3.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.365 . . . . 0.0 110.847 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t -131.37 148.09 52.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.29 -164.3 30.94 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -110.62 -48.06 3.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -156.02 111.43 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.47 -40.94 2.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.1 m-20 -62.6 164.01 8.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.319 . . . . 0.0 110.911 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.78 127.46 48.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -52.96 167.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' O ' ' CD ' ' A' ' 11' ' ' ARG . 2.2 ppt_? -88.86 29.13 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.1 t -62.87 121.79 14.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' LYS . 41.0 p -95.31 -41.06 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.695 HD12 ' H ' ' A' ' 14' ' ' LEU . 4.8 mp -39.64 -27.02 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 13' ' ' THR . 0.0 OUTLIER -84.73 -55.42 4.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 179.808 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 32.0 m0 -39.19 -52.88 1.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -45.88 -39.25 8.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -69.57 -58.54 3.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.848 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.2 mm-40 -54.04 -29.0 42.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HG2' HG13 ' A' ' 31' ' ' VAL . 20.1 mm-40 -59.37 -22.85 61.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.04 -28.08 27.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.093 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 19' ' ' GLU . 6.4 mt -75.09 -15.64 60.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.42 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 56.71 -116.74 8.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.468 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.51 -9.59 9.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.7 mmm -95.5 -7.17 38.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -38.02 126.0 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.092 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.463 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 57.0 p -84.87 15.25 4.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.791 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.0 OUTLIER -120.62 160.21 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.14 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -72.57 -59.11 2.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.527 0.68 . . . . 0.0 111.082 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.791 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.2 Cg_endo -69.77 -51.27 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.67 2.247 . . . . 0.0 112.308 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG13 ' HG2' ' A' ' 20' ' ' GLU . 10.8 t -55.05 -21.29 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 20.2 tp -87.81 -49.4 7.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -48.01 -58.94 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . 2.4 p -53.37 -52.25 59.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.192 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.42 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 54.4 m-20 -42.34 -37.89 1.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.8 mt -88.95 -64.12 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.402 ' O ' ' HD3' ' A' ' 39' ' ' PRO . 5.6 m-80 -53.04 -54.67 31.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.595 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 93.0 m-85 -106.66 86.69 2.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 37' ' ' ASN . 53.5 Cg_endo -69.79 -42.87 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.631 2.221 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -84.56 12.32 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.648 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.9 tp -44.5 -45.05 9.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -55.05 -35.31 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' N ' ' HD3' ' A' ' 42' ' ' LYS . 30.4 mm-40 -71.99 -54.79 8.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.483 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 19.2 mt-10 -52.84 -38.24 61.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.67 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 2.1 m-85 -134.86 93.92 17.11 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.636 0.732 . . . . 0.0 110.826 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.82 -50.85 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.2 110.08 3.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 50' ' ' THR . 47.7 t-105 -44.01 -62.25 1.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -42.55 -23.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 48' ' ' TRP . 72.7 m -95.79 -36.6 11.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.648 ' HD2' HD23 ' A' ' 41' ' ' LEU . 24.1 ttp180 -69.8 -55.29 10.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.3 p -40.4 -47.59 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' N ' HG13 ' A' ' 52' ' ' VAL . 29.6 mttm -51.74 -41.33 61.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.67 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 20.4 mm100 -62.0 -59.32 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.425 HG12 HG21 ' A' ' 34' ' ' THR . 68.4 mt -38.51 -35.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -58.13 6.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.547 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 10.7 pttp -55.79 -50.61 70.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.595 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 22.6 mt -59.01 -36.05 74.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.609 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 71.3 t-105 -65.81 -54.27 29.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -56.94 -43.29 81.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -48.68 -42.63 35.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.68 123.46 20.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 57.9 m -57.7 151.57 17.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 m -47.41 -45.12 25.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -57.66 -27.12 62.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -76.63 -36.77 57.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.956 ' O ' HG23 ' A' ' 71' ' ' VAL . 7.1 mtp180 -78.78 -20.44 49.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.62 -58.28 0.55 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.544 0.688 . . . . 0.0 111.069 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.741 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.71 -51.21 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.649 2.233 . . . . 0.0 112.356 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -60.11 -15.31 22.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.956 HG23 ' O ' ' A' ' 67' ' ' ARG . 92.4 t -85.61 -37.47 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -83.33 -41.92 17.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 36.0 tttt -52.69 -49.31 65.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.71 -49.04 29.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 56.3 mtp85 -61.09 -46.94 88.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.51 -36.55 80.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -57.7 -31.87 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.463 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 53.6 mtp180 -68.16 -35.33 77.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.626 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -67.41 -49.84 62.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.051 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.473 ' O ' ' ND2' ' A' ' 84' ' ' ASN . . . -40.81 -31.33 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.9 mt -76.91 -51.4 11.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.444 ' HB2' ' NH1' ' A' ' 82' ' ' ARG . 17.6 ttm105 -50.74 -37.05 39.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.626 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -80.44 -39.93 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 80' ' ' ALA . 6.8 m-20 -104.33 94.52 5.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.27 127.4 4.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.5 t -72.43 108.99 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -139.95 153.82 47.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 32.8 tpp -104.49 138.27 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.2 m -144.49 128.81 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.855 -179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -94.13 120.97 35.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.843 -179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -102.15 169.57 8.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.46 97.42 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.468 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 p -79.11 130.45 35.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.831 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.8 p -170.6 166.04 8.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.882 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.72 -97.76 0.83 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m120 43.42 42.12 3.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.93 -43.78 98.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -151.22 121.59 7.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -85.37 94.37 8.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.3 t -124.44 172.45 9.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 p -96.72 -19.3 19.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.5 mt -55.97 -51.52 67.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -62.64 -37.8 87.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.434 ' CD2' HG22 ' A' ' 31' ' ' VAL . 20.0 m0 -52.5 -63.06 1.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' TRP . 4.6 tm-20 -37.2 -42.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -66.11 -47.6 73.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.7 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -66.71 -27.43 67.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.495 ' HG2' HG13 ' A' ' 31' ' ' VAL . 7.3 mm-40 -58.12 -21.77 48.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.57 -33.63 21.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.7 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.6 mt -68.85 -19.0 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.425 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 57.77 -119.54 17.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -58.08 -14.74 7.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.805 0.336 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.48 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.7 mmm -87.76 -17.22 32.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.858 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 25' ' ' MET . . . -34.07 118.05 0.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.409 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 66.1 p -78.09 5.76 9.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.099 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.817 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.3 t -105.24 160.68 5.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 30' ' ' PRO . . . -74.1 -59.53 1.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.576 0.703 . . . . 0.0 111.074 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.817 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.8 -51.3 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.699 2.266 . . . . 0.0 112.289 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.58 HG11 ' HB2' ' A' ' 19' ' ' GLU . 6.2 t -54.97 -19.77 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.086 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 15.9 tp -91.21 -48.48 6.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.455 ' CE2' ' ND2' ' A' ' 37' ' ' ASN . 11.5 t80 -49.96 -56.0 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.46 HG21 ' HA ' ' A' ' 55' ' ' ILE . 6.6 p -58.88 -42.96 90.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.143 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 31' ' ' VAL . 46.4 m-20 -48.93 -36.69 17.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.5 mt -88.97 -65.21 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.455 ' ND2' ' CE2' ' A' ' 33' ' ' TYR . 35.3 m-80 -50.59 -50.5 53.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 32.9 m-85 -106.64 86.65 2.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -37.45 9.32 Favored 'Trans proline' 0 N--CA 1.465 -0.157 0 C-N-CA 122.76 2.307 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -93.24 15.73 14.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.3 tp -45.07 -50.43 10.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -47.97 -56.24 8.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.21 -58.34 7.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -46.07 -40.93 11.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.558 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 39.2 m-85 -134.77 94.29 16.88 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.7 0.762 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.72 -46.32 1.29 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.77 111.07 5.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.533 ' CZ2' ' HB ' ' A' ' 52' ' ' VAL . 31.6 t-105 -42.49 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.3 m -40.53 -29.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -90.91 -39.55 12.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 10.1 ttp-105 -68.74 -54.77 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.533 ' HB ' ' CZ2' ' A' ' 48' ' ' TRP . 8.9 p -42.28 -45.97 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' N ' HG13 ' A' ' 52' ' ' VAL . 64.1 mttt -55.16 -43.55 74.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.558 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm100 -60.3 -32.71 71.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' THR . 96.6 mt -65.38 -37.27 79.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -53.98 12.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 58' ' ' LEU . 8.4 ptmt -56.91 -49.08 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.489 ' N ' ' HG3' ' A' ' 57' ' ' LYS . 27.3 mt -65.25 -22.86 66.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 73.2 t-105 -81.4 -46.55 14.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.48 -46.9 84.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -25.99 30.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -70.66 132.11 44.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.4 t -63.32 148.76 47.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.8 m -50.44 -44.74 55.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 18.5 mp0 -61.59 -19.48 62.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -80.65 -37.15 31.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.972 ' O ' HG23 ' A' ' 71' ' ' VAL . 20.0 mtp180 -78.17 -22.0 49.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.734 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.74 -58.66 0.44 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.587 0.708 . . . . 0.0 111.1 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.734 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.04 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.408 ' CE2' ' HD2' ' A' ' 33' ' ' TYR . 57.0 m-85 -60.66 -15.06 24.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.972 HG23 ' O ' ' A' ' 67' ' ' ARG . 85.3 t -85.4 -37.42 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.14 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -85.02 -44.84 12.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -52.62 -44.06 65.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.84 -47.41 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtt-85 -63.5 -48.32 78.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -58.12 -39.79 79.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -52.26 -37.55 55.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.409 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 45.4 mtt85 -60.05 -45.04 94.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.663 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -55.43 -52.14 64.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 79' ' ' ALA . . . -34.9 -51.79 0.52 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 37.2 mt -58.01 -56.17 25.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -46.04 -51.8 13.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.663 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.2 mp -68.93 -65.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -79.81 87.17 5.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -85.57 166.42 16.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 35.6 m -96.78 136.96 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -47.82 137.16 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -58.38 3.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.6 t 57.8 42.24 23.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.3 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 -179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 4.2 m -159.38 155.29 26.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.924 0.392 . . . . 0.0 110.868 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 4.9 m -37.01 -62.82 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.68 -98.58 0.72 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -163.98 170.39 16.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -87.98 159.44 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.7 97.67 0.13 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 9' ' ' ALA . 1.0 OUTLIER -62.42 -62.04 2.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.905 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 8' ' ' ASN . . . -34.17 -61.21 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -63.95 125.97 26.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.82 157.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.814 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.726 ' HB3' HD11 ' A' ' 14' ' ' LEU . 1.9 t -158.3 -176.66 6.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.4 p -98.47 81.19 2.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.112 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.726 HD11 ' HB3' ' A' ' 12' ' ' SER . 1.2 mp -115.73 -53.69 2.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -46.94 -38.91 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.404 ' CG ' ' CG2' ' A' ' 31' ' ' VAL . 18.6 m0 -59.59 -60.25 4.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -39.92 -35.96 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -77.51 -57.69 3.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.842 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.1 mm-40 -56.94 -20.46 23.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HG3' ' CZ3' ' A' ' 48' ' ' TRP . 5.1 mm-40 -66.12 -21.15 66.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.866 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.52 -24.81 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.842 HD12 ' HA ' ' A' ' 19' ' ' GLU . 9.5 mt -78.08 -11.8 59.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' HA2' ' ND2' ' A' ' 35' ' ' ASN . . . 53.72 -116.01 5.52 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.6 -13.59 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 33.6 mmm -95.15 11.92 30.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.412 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -58.06 127.01 29.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.088 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.734 HG23 ' OE2' ' A' ' 19' ' ' GLU . 56.9 p -83.87 21.31 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.776 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -128.65 156.13 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.121 179.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.823 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.59 -57.71 5.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.092 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.776 ' HD2' HG12 ' A' ' 28' ' ' VAL . 54.1 Cg_endo -69.7 -47.58 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG11 ' HB2' ' A' ' 19' ' ' GLU . 5.3 t -61.64 -16.96 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.133 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' A' ' 28' ' ' VAL . 30.1 tp -92.43 -47.14 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -49.92 -56.64 9.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.458 ' HB ' HD22 ' A' ' 41' ' ' LEU . 2.6 p -57.16 -51.53 68.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.441 ' ND2' ' HA2' ' A' ' 23' ' ' GLY . 55.4 m-20 -42.94 -32.83 0.69 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -94.37 -64.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -52.45 -51.78 57.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.487 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 38.9 m-85 -106.79 86.11 2.17 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.643 0.735 . . . . 0.0 110.85 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.63 10.49 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -89.72 13.08 15.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.458 HD22 ' HB ' ' A' ' 34' ' ' THR . 11.8 tp -43.71 -58.23 2.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.449 ' H ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.02 -58.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.786 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.49 -61.68 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.412 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 17.3 mt-10 -40.97 -41.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.677 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 14.8 m-85 -134.98 94.05 16.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.671 0.748 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.7 Cg_endo -69.79 -50.86 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.27 118.03 8.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.463 ' CZ3' ' HG3' ' A' ' 20' ' ' GLU . 39.6 t-105 -50.09 -62.08 1.78 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -42.31 -23.77 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 48' ' ' TRP . 87.7 m -94.15 -43.2 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.175 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -64.23 -53.26 51.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.426 HG13 ' N ' ' A' ' 53' ' ' LYS . 10.4 p -43.79 -40.91 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.096 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.426 ' N ' HG13 ' A' ' 52' ' ' VAL . 23.6 mttm -61.66 -44.34 97.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.677 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 24.5 mm100 -57.44 -42.56 82.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.57 HG22 ' HB2' ' A' ' 30' ' ' PRO . 74.2 mt -56.04 -37.1 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.159 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.94 -59.9 2.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.7 ptmt -52.8 -48.32 66.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.914 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.487 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 19.4 mt -65.82 -26.47 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.823 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 67.7 t-105 -78.91 -39.54 34.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 31.5 mtt85 -64.43 -54.18 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 62' ' ' ALA . 6.1 ptmt -48.52 -33.64 9.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.431 ' N ' ' HG2' ' A' ' 61' ' ' LYS . . . -61.81 126.77 28.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 60.0 p -64.08 149.36 47.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.4 m -47.72 -46.95 30.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -55.23 -28.34 52.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 6.8 tp10 -76.71 -35.22 57.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.947 ' O ' HG23 ' A' ' 71' ' ' VAL . 4.4 mtp-105 -77.7 -23.96 49.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.729 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.66 -58.78 0.53 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.592 0.71 . . . . 0.0 111.102 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.729 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.8 Cg_endo -69.73 -51.54 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.338 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CD2' ' O ' ' A' ' 66' ' ' GLU . 44.8 m-85 -59.69 -15.83 22.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.883 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.4 t -85.48 -37.0 11.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.9 tp60 -84.34 -46.42 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -49.73 -44.68 48.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.19 -47.49 72.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -61.97 -46.61 88.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.67 -37.12 86.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 59.0 m-20 -58.93 -29.74 67.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -68.57 -33.63 74.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.66 -51.06 46.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -40.57 -43.25 1.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.3 mt -69.18 -42.76 75.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.9 ttt180 -57.34 -41.03 79.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 3.4 mp -72.67 -51.45 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' O ' HG23 ' A' ' 86' ' ' VAL . 37.6 m-80 -52.18 -48.53 64.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 47.9 mttp -45.66 134.04 7.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 84' ' ' ASN . 75.7 t -124.54 -23.85 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -141.1 143.54 34.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.23 87.27 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.1 m -104.71 41.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 18.4 p30 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.431 -0.267 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -99.79 133.33 44.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.9 m -134.02 151.76 51.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.48 138.2 44.11 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.6 p -99.28 167.56 10.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -140.81 158.98 43.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.59 -62.17 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.439 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -129.53 144.81 51.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -129.31 116.68 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -168.11 128.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 55.31 38.37 30.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.4 t -129.44 112.35 13.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.0 p -71.62 -22.83 61.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.481 HD12 ' H ' ' A' ' 14' ' ' LEU . 5.5 mp -62.25 -13.27 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -111.97 30.11 7.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 15.8 m0 -119.01 -53.86 2.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.65 -42.72 25.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -66.36 -56.01 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.776 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.5 OUTLIER -55.0 -34.55 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.856 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -52.15 -35.62 49.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.75 -34.47 71.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' ' 19' ' ' GLU . 14.2 mt -70.0 -17.79 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.422 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 58.34 -118.96 15.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -60.12 -13.04 9.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.828 0.347 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.473 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 26.0 mmm -90.0 -9.46 48.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.566 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -36.52 127.18 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.712 HG23 ' OE2' ' A' ' 19' ' ' GLU . 43.2 p -85.95 15.4 5.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.838 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -122.55 158.26 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.885 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -71.07 -57.12 5.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.562 0.696 . . . . 0.0 111.104 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.838 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.7 Cg_endo -69.74 -44.07 2.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.776 HG11 ' HB2' ' A' ' 19' ' ' GLU . 16.7 t -61.92 -22.42 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 14.9 tp -88.28 -50.81 6.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.954 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -45.44 -56.12 5.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.609 HG21 ' HA ' ' A' ' 55' ' ' ILE . 3.2 p -60.61 -43.37 97.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.566 ' ND2' ' HB2' ' A' ' 26' ' ' ALA . 49.9 m-20 -49.82 -33.6 17.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.3 mt -92.35 -62.53 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -53.78 -50.43 66.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 52.2 m-85 -109.29 87.1 4.67 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.632 0.73 . . . . 0.0 110.83 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -44.75 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.677 2.251 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -83.51 14.06 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 tp -43.88 -57.25 3.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' H ' ' CD ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -40.05 -60.06 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.839 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -54.57 -58.68 6.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 29.7 mm-40 -44.05 -40.3 4.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.692 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 5.4 m-85 -134.62 93.88 17.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.636 0.731 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.8 Cg_endo -69.74 -50.31 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.704 2.27 . . . . 0.0 112.314 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.16 115.24 5.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 39.9 t-105 -49.61 -61.99 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -44.48 -24.01 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.3 m -94.61 -35.32 12.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.184 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.22 -53.42 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.5 p -46.58 -28.19 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -68.36 -35.81 78.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.692 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 8.1 mm100 -68.74 -58.33 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.609 ' HA ' HG21 ' A' ' 34' ' ' THR . 77.1 mt -40.72 -34.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.105 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.93 -55.72 10.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.497 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 19.8 pttt -59.81 -47.61 85.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.497 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 74.7 mt -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.885 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 71.0 t-105 -77.27 -45.66 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.43 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 29.3 mtp180 -55.26 -53.72 52.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.404 ' CD ' ' HA ' ' A' ' 58' ' ' LEU . 5.8 ptmt -46.01 -31.84 2.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.84 138.41 52.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.091 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.8 m -87.74 155.14 20.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 m -43.49 -56.45 3.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.37 -27.86 7.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -81.78 -38.25 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.939 ' O ' HG23 ' A' ' 71' ' ' VAL . 29.1 mtt180 -78.89 -19.6 51.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.74 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -33.18 -58.48 0.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.597 0.713 . . . . 0.0 111.105 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.74 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.76 -51.24 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.312 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -59.96 -15.29 20.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.939 HG23 ' O ' ' A' ' 67' ' ' ARG . 91.7 t -86.24 -42.93 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -75.94 -48.69 20.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 34.8 tttt -47.35 -52.06 17.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.35 -45.47 24.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.086 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.3 mtp85 -63.92 -48.23 77.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -57.97 -39.03 77.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -54.49 -34.73 62.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.468 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 37.9 mtp180 -66.54 -42.21 87.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.471 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -62.28 -49.3 76.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.35 -32.49 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 43.8 mt -72.53 -55.32 7.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 48.2 mtp180 -49.98 -44.58 50.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 79' ' ' ALA . 4.4 mp -71.62 -54.54 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.101 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 83' ' ' ILE . 14.1 p30 45.44 51.08 9.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -154.19 110.25 3.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.453 HG12 ' H ' ' A' ' 88' ' ' MET . 97.6 t -59.47 126.33 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -118.8 39.88 3.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.453 ' H ' HG12 ' A' ' 86' ' ' VAL . 7.7 mmt -80.39 138.88 36.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.5 t -56.19 -60.16 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.831 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.913 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -145.37 119.4 9.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.918 0.39 . . . . 0.0 110.855 -179.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 m -56.55 154.75 8.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.76 -169.19 13.12 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -141.19 122.09 14.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.9 m -52.26 -53.37 44.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.73 115.34 0.89 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -158.33 136.78 10.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.09 90.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -174.18 112.78 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -41.79 139.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.4 m -149.88 125.32 10.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.504 ' O ' ' N ' ' A' ' 16' ' ' TRP . 73.2 p -58.23 -42.58 86.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.115 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.665 HD12 ' H ' ' A' ' 14' ' ' LEU . 5.1 mp -39.59 -36.7 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -81.36 -33.66 32.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.504 ' N ' ' O ' ' A' ' 13' ' ' THR . 10.5 m0 -57.67 -63.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB3' ' CE2' ' A' ' 48' ' ' TRP . 5.0 pt-20 -42.79 -36.98 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -60.81 -47.09 87.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.688 ' HA ' HD12 ' A' ' 22' ' ' LEU . 0.9 OUTLIER -66.65 -36.73 83.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.62 ' HG2' HG13 ' A' ' 31' ' ' VAL . 18.5 mm-40 -46.42 -39.73 11.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.6 -34.6 78.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 19' ' ' GLU . 13.2 mt -69.22 -16.46 63.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.426 ' HA2' ' CG ' ' A' ' 35' ' ' ASN . . . 56.32 -117.71 9.78 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.464 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -60.22 -14.12 15.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.338 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.465 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 29.0 mmm -90.59 -7.16 53.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' HD22 ' A' ' 35' ' ' ASN . . . -39.41 122.24 1.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.45 ' HB ' ' CG ' ' A' ' 78' ' ' ARG . 69.2 p -84.29 19.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.119 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.828 HG12 ' HD2' ' A' ' 30' ' ' PRO . 1.1 t -124.82 156.03 33.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.903 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.07 -57.77 5.83 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.069 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.828 ' HD2' HG12 ' A' ' 28' ' ' VAL . 52.9 Cg_endo -69.81 -50.54 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.644 2.229 . . . . 0.0 112.296 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.62 HG13 ' HG2' ' A' ' 20' ' ' GLU . 5.0 t -58.27 -15.02 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.0 tp -93.9 -55.2 3.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.4 t80 -42.21 -51.17 4.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.489 HG21 ' HA ' ' A' ' 55' ' ' ILE . 17.3 p -63.48 -47.64 80.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.173 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.567 HD22 ' HB2' ' A' ' 26' ' ' ALA . 43.5 m-20 -44.97 -41.94 7.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -87.34 -65.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.125 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -47.94 -52.82 18.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -106.32 88.07 3.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.646 0.736 . . . . 0.0 110.82 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -42.81 3.06 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.367 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -90.21 12.58 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.641 HD23 ' HD2' ' A' ' 51' ' ' ARG . 7.1 tp -38.73 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 41' ' ' LEU . 0.8 OUTLIER -34.9 -43.65 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 179.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 42' ' ' LYS . 34.3 mt-10 -57.63 -59.77 4.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.455 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 3.3 mm-40 -49.67 -42.37 45.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.608 ' CZ ' ' NE2' ' A' ' 54' ' ' GLN . 5.9 m-85 -134.97 93.58 17.19 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.656 0.741 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 53.6 Cg_endo -69.78 -47.58 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -71.33 111.26 6.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 50' ' ' THR . 56.3 t-105 -44.43 -62.07 1.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.0 m -40.56 -26.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.104 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.444 ' N ' ' O ' ' A' ' 48' ' ' TRP . 86.2 m -97.86 -34.85 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.641 ' HD2' HD23 ' A' ' 41' ' ' LEU . 23.8 ttp180 -70.93 -52.45 19.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.509 HG13 ' N ' ' A' ' 53' ' ' LYS . 11.4 p -40.68 -45.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' N ' HG13 ' A' ' 52' ' ' VAL . 31.1 mttm -53.32 -39.03 63.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.608 ' NE2' ' CZ ' ' A' ' 45' ' ' PHE . 25.3 mm100 -66.57 -52.23 47.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.489 ' HA ' HG21 ' A' ' 34' ' ' THR . 72.4 mt -46.25 -31.73 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.97 -61.49 1.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 58' ' ' LEU . 12.2 ptmt -53.53 -49.44 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.511 ' N ' ' CG ' ' A' ' 57' ' ' LYS . 50.7 mt -58.38 -33.43 69.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.903 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 62.5 t-105 -73.83 -36.17 64.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HA ' ' NH2' ' A' ' 67' ' ' ARG . 9.7 mmm180 -62.19 -51.2 68.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.3 ttpp -41.38 -47.81 3.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' NE ' ' A' ' 67' ' ' ARG . . . -61.17 129.57 41.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.072 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 4.0 m -78.63 158.57 28.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.0 m -42.99 -52.7 5.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -53.85 -30.41 45.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -78.58 -36.46 44.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.924 ' O ' HG23 ' A' ' 71' ' ' VAL . 41.0 mtt180 -79.79 -16.91 54.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.719 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -35.41 -57.94 0.85 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.583 0.706 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.719 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.76 -51.37 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.353 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -59.48 -17.11 28.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.924 HG23 ' O ' ' A' ' 67' ' ' ARG . 98.8 t -85.82 -40.55 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 37.2 tp60 -76.77 -48.26 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.1 tttp -49.75 -45.21 49.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.07 -47.28 68.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.097 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 40.6 mtt-85 -63.99 -50.38 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.31 -39.58 76.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.2 m-20 -52.79 -38.96 61.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.45 ' CG ' ' HB ' ' A' ' 27' ' ' THR . 60.8 mtt180 -60.26 -39.47 86.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.718 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -62.59 -49.1 76.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -39.87 -53.09 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 60.7 mt -48.57 -55.22 11.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -47.66 -60.82 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.815 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.718 HD12 ' O ' ' A' ' 79' ' ' ALA . 5.4 mp -55.02 -62.43 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -57.77 130.61 47.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.44 ' NZ ' ' HA ' ' A' ' 85' ' ' LYS . 0.0 OUTLIER 56.03 47.64 19.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.416 ' H ' HG12 ' A' ' 86' ' ' VAL . 1.5 p -75.04 141.23 16.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 87' ' ' GLN . 5.0 pp0? -84.04 135.91 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.5 ttt -107.58 -61.8 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.5 p -40.02 114.31 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -179.943 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -100.79 157.37 16.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.851 0.358 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -99.52 -46.19 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.835 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.36 92.19 1.03 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 6' ' ' SER . 59.8 p -96.87 110.17 22.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.863 0.363 . . . . 0.0 110.873 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 5' ' ' SER . 90.3 p -37.28 136.87 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -142.75 94.02 0.18 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.49 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 7' ' ' GLY . 19.4 t-20 -36.65 139.19 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.84 0.352 . . . . 0.0 110.876 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -110.42 -61.8 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.055 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -68.96 -179.26 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.874 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -103.99 147.91 26.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.0 t -164.98 174.63 10.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.545 ' O ' HD23 ' A' ' 14' ' ' LEU . 80.5 p -94.91 71.15 3.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 13' ' ' THR . 12.1 mt -127.0 -57.35 1.32 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 33.7 tttt -59.26 -40.33 85.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.472 ' HA ' HG21 ' A' ' 31' ' ' VAL . 22.6 m0 -43.48 -50.69 6.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -52.2 -38.51 58.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -73.69 -52.79 12.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.832 ' HB2' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -59.25 -29.32 67.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' HG13 ' A' ' 31' ' ' VAL . 12.4 mm-40 -58.16 -26.32 62.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -32.78 41.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HB3' ' CB ' ' A' ' 25' ' ' MET . 36.9 mt -70.44 -15.32 62.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.76 -120.74 23.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -59.53 -17.22 30.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.429 ' CB ' ' HB3' ' A' ' 22' ' ' LEU . 25.5 mmm -85.19 -8.52 58.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.425 ' HB3' ' HB2' ' A' ' 32' ' ' LEU . . . -37.44 130.73 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.9 p -88.36 8.06 29.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.847 HG12 ' HD2' ' A' ' 30' ' ' PRO . 0.8 OUTLIER -115.76 157.88 16.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.761 ' HB1' ' CH2' ' A' ' 59' ' ' TRP . . . -70.83 -56.64 5.78 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.847 ' HD2' HG12 ' A' ' 28' ' ' VAL . 53.3 Cg_endo -69.76 -42.63 3.24 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.625 2.217 . . . . 0.0 112.335 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 19' ' ' GLU . 19.4 t -64.77 -20.7 27.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.425 ' HB2' ' HB3' ' A' ' 26' ' ' ALA . 24.4 tp -88.39 -49.24 7.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -49.79 -58.82 4.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 38' ' ' PHE . 5.9 p -53.25 -53.83 45.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.423 HD22 ' HB2' ' A' ' 26' ' ' ALA . 71.1 m-20 -40.47 -37.99 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.86 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 60.6 mt -88.94 -62.83 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -52.56 -56.38 15.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.598 ' CZ ' HD22 ' A' ' 58' ' ' LEU . 62.9 m-85 -106.73 86.83 2.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -42.31 3.42 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -88.37 17.19 5.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.792 HD23 ' HD2' ' A' ' 51' ' ' ARG . 5.4 tp -43.65 -59.5 2.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 41' ' ' LEU . 10.0 pttp -36.83 -40.15 0.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.2 -63.94 1.01 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 45' ' ' PHE . 16.5 mm-40 -43.03 -44.78 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.561 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 3.9 m-85 -134.81 93.55 17.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.631 0.729 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 54.1 Cg_endo -69.71 -48.49 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.396 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.09 113.79 4.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 50' ' ' THR . 45.0 t-105 -43.56 -65.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -41.52 -24.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 48' ' ' TRP . 85.0 m -93.88 -36.88 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.792 ' HD2' HD23 ' A' ' 41' ' ' LEU . 19.6 ttp180 -70.92 -52.12 21.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.544 HG13 ' N ' ' A' ' 53' ' ' LYS . 14.8 p -44.03 -46.57 2.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.129 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' N ' HG13 ' A' ' 52' ' ' VAL . 45.2 mttm -52.84 -33.93 51.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG3' ' CE1' ' A' ' 45' ' ' PHE . 30.9 mm100 -69.01 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLN . 68.6 mt -36.47 -32.76 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLN . . . -72.5 -49.78 30.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.459 ' HE3' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -66.36 -38.5 87.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.598 HD22 ' CZ ' ' A' ' 38' ' ' PHE . 35.6 mt -73.15 -33.52 65.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.761 ' CH2' ' HB1' ' A' ' 29' ' ' ALA . 68.8 t-105 -69.08 -51.72 35.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -57.73 -50.28 73.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.12 -44.56 2.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.37 123.06 18.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.053 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 35.3 m -60.01 159.65 9.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.9 m -51.84 -48.67 63.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -56.16 -18.24 9.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -85.49 -39.59 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.962 ' O ' HG23 ' A' ' 71' ' ' VAL . 15.1 mtp180 -78.5 -20.4 50.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.748 ' HB3' ' HD3' ' A' ' 69' ' ' PRO . . . -32.83 -58.72 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.529 0.68 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.748 ' HD3' ' HB3' ' A' ' 68' ' ' ALA . 53.5 Cg_endo -69.77 -51.32 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.71 2.273 . . . . 0.0 112.31 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -60.23 -14.53 18.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.962 HG23 ' O ' ' A' ' 67' ' ' ARG . 88.1 t -86.56 -37.58 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.87 -43.37 15.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -52.56 -48.74 65.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.0 -52.65 14.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.8 mtp85 -57.87 -47.73 81.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.4 -40.38 78.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -55.34 -35.2 64.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 -62.28 -38.83 90.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.674 ' O ' HD12 ' A' ' 83' ' ' ILE . . . -61.7 -49.57 75.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.091 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -43.0 -45.31 5.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.065 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 47.6 mt -61.41 -53.17 60.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -43.98 -61.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.756 ' H ' HD12 ' A' ' 83' ' ' ILE . 5.4 mp -54.93 -50.59 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -93.14 80.3 4.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 51.0 tttt -145.7 141.09 27.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 92.2 t -93.26 107.7 19.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -57.52 123.67 16.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.4 ptt? -112.16 130.05 56.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.7 p -92.34 175.01 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.962 . . . . . . . . 0 0 . 1 stop_ save_