data_2dn6_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 2dn6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG2' HG11 ' A' ' 30' ' ' VAL . 6.7 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.853 0.359 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.466 ' N ' HG21 ' A' ' 8' ' ' VAL . 32.8 mt -92.42 -49.07 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 11.5 tttp -128.52 155.09 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 pt20 -158.51 136.39 10.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.99 173.5 45.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -87.01 114.58 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.497 ' HE1' ' CG ' ' A' ' 29' ' ' PHE . 43.6 mtm -123.76 158.31 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 mtp -99.99 109.43 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 81' ' ' PHE . 21.8 tptt -91.36 142.61 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 30.9 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.3 m95 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 p -142.07 122.08 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -50.73 134.64 24.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 -154.21 142.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.499 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 60.7 t-105 -71.82 145.13 48.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.497 ' CG ' ' HE1' ' A' ' 14' ' ' MET . 14.1 m-85 -129.91 140.7 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.478 HG11 ' CG2' ' A' ' 8' ' ' VAL . 61.8 t -125.0 91.54 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.49 105.65 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' CB ' HG23 ' A' ' 35' ' ' ILE . 5.3 mptt -89.61 164.67 28.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -26.39 27.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -133.7 25.16 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.533 HG23 ' CB ' ' A' ' 32' ' ' LYS . 3.4 tt -179.12 176.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.44 HG13 ' CD1' ' A' ' 53' ' ' LEU . 62.1 mt -148.28 104.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -99.6 164.61 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 7.4 p90 -145.27 116.07 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.2 m-85 -105.94 150.24 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 ' CG2' ' HZ3' ' A' ' 48' ' ' LYS . 37.0 t -44.86 -44.13 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.409 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 62.5 p -135.02 -174.96 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.499 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 12.6 pt-20 -86.27 33.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.97 -29.54 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.87 43.38 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -110.85 -42.11 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.18 88.37 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 24.2 ttpt -66.89 145.69 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.547 ' CB ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -106.44 -43.47 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.73 175.11 47.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.21 135.08 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.573 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 6.3 mt -102.91 95.89 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.95 101.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CD1' HG13 ' A' ' 36' ' ' ILE . 38.4 mt -71.88 146.9 47.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' CYS . 1.6 p30 -174.18 151.61 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -34.69 -40.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.97 -49.92 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' ASP . 94.9 m -64.5 142.6 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.0 p -155.67 167.42 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 p -116.95 145.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -136.5 152.65 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.5 p -86.06 134.24 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 mt -107.65 152.42 41.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -169.49 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.74 126.56 36.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LYS . 6.8 ptpp? -144.18 167.41 22.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t0 35.53 37.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.1 45.29 96.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LYS . 32.5 mmtm -117.29 160.21 21.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -134.8 147.24 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.31 53.53 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 HD13 ' CB ' ' A' ' 68' ' ' LYS . 3.8 mt -89.69 150.19 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 32.6 p90 -151.86 156.44 40.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 73' ' ' LEU . 3.2 tt -144.58 152.94 41.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.17 130.54 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -109.16 117.5 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.13 176.46 5.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 76' ' ' CYS . 8.6 m-85 -31.61 -69.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.64 -27.06 3.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.46 155.34 22.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.415 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 p -135.44 157.46 46.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.2 m-85 -145.42 111.75 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.82 117.15 34.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 16.1 mt -123.5 152.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 83' ' ' ILE . 43.2 t -120.16 135.3 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.35 163.57 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 t -85.29 -56.78 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -126.27 178.36 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -62.53 -36.04 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.05 -60.37 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' LYS . 5.7 mptt -58.17 -61.08 2.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -38.0 -60.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 94' ' ' TRP . 25.5 tt0 -64.9 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -37.92 -32.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.496 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 33.9 m95 -79.15 -66.7 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 52.6 mt -44.61 -42.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.69 -50.4 73.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.72 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -57.72 -48.82 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -58.04 -48.67 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 p -63.16 -43.79 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.1 m -51.21 -39.31 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.5 mt -72.01 -48.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.2 t60 -42.94 -44.61 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.0 -36.98 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.3 mt -71.03 -29.33 65.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.457 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 66.9 mttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.55 -60.99 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.7 tttp -126.49 156.08 41.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -158.44 124.82 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.06 176.2 42.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 18.5 m-85 -91.74 103.77 16.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.459 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 67.7 mtm -114.78 158.61 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.9 mtp -100.67 116.24 32.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -106.24 142.92 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 17.4 ttpp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.406 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 93.3 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.5 p -152.12 139.52 19.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 4.6 tp10 -68.3 146.52 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.4 mtt-85 -166.33 142.68 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.522 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 53.2 t-105 -72.71 136.08 45.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.58 149.72 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG1' ' HE3' ' A' ' 32' ' ' LYS . 46.7 t -134.54 97.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.421 ' CD2' ' HB1' ' A' ' 97' ' ' ALA . 23.2 tp -73.53 94.95 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.4 mptt -77.47 164.82 55.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -28.8 24.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 34' ' ' ASN . 51.8 t-20 -131.95 25.31 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.535 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.0 tt -178.5 177.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.409 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 37.7 mt -148.09 104.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -101.46 169.94 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 30.6 p90 -152.16 117.41 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -102.49 135.29 44.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 m -48.27 -19.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 m -138.64 174.83 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.7 pt-20 -93.05 27.99 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -104.12 -21.67 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 mt 69.31 36.72 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -111.41 -47.46 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.14 97.72 8.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -92.76 144.6 25.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 7.0 mmtp -99.94 -39.7 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.22 -164.2 28.16 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.49 139.04 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.564 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 25.9 mt -104.4 98.73 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.06 105.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.98 134.11 45.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -157.49 150.84 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -38.1 -35.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.634 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 30.1 m-80 -63.09 -57.04 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.6 m -54.08 147.51 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 28.2 p -157.56 167.37 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 60' ' ' GLU . 7.3 p -120.79 138.57 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 59' ' ' VAL . 10.1 pt-20 -133.85 137.82 45.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.9 p -82.68 127.82 33.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.7 mt -108.6 143.26 27.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.75 125.05 29.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -54.76 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 13.6 t70 -121.7 59.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.68 37.25 94.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 69' ' ' LYS . 24.2 mmtt -110.6 169.99 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 8.1 mptt -142.36 141.33 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m 58.09 48.84 12.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mt -81.19 149.05 29.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 27.2 p90 -152.12 130.08 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 74' ' ' VAL . 6.6 tt -119.94 144.99 47.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.419 ' C ' HD23 ' A' ' 73' ' ' LEU . 99.6 t -104.5 128.57 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -106.45 122.65 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.11 176.37 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.634 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 8.4 m-85 -32.79 -70.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.76 -25.67 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -86.83 160.07 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.79 149.35 36.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 11.5 m-85 -136.47 117.35 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.82 119.89 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.1 mt -123.91 159.92 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.458 ' N ' HG21 ' A' ' 83' ' ' ILE . 1.6 p -130.39 126.75 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.69 172.84 10.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -99.73 -54.0 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.66 156.9 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -45.69 -39.79 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.92 -58.55 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -53.49 -61.13 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -66.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 30.6 tt0 -51.04 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 6.0 mm-40 -37.85 -46.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.513 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.5 m95 -64.65 -64.33 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.5 mt -46.1 -54.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -54.14 -51.31 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 31' ' ' LEU . . . -56.51 -45.11 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.22 -54.57 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.18 -58.83 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.3 t -52.79 -51.53 60.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.6 m -46.46 -39.75 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.96 -44.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.7 t60 -49.91 -40.28 42.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.8 mt -59.27 -30.33 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.3 mt -84.18 -22.12 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 84.3 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.822 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.447 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 2.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.369 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -86.46 -55.03 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HE2' ' CD1' ' A' ' 94' ' ' TRP . 28.5 tttp -118.24 156.53 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -158.56 136.15 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.451 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 178.88 163.67 30.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CD1' ' HE3' ' A' ' 28' ' ' TRP . 10.5 m-85 -77.33 106.46 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.567 ' HE3' ' CH2' ' A' ' 94' ' ' TRP . 56.8 mtm -118.92 150.95 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.411 ' HE1' ' C ' ' A' ' 24' ' ' TRP . 55.7 mtp -104.2 124.36 48.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -111.98 139.29 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 20.4 ttpp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 91.3 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.1 p -129.13 134.79 48.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.05 101.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.558 ' CZ ' ' N ' ' A' ' 40' ' ' VAL . 9.5 tpt180 -117.76 135.99 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 48.5 t-105 -68.48 126.5 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -111.87 147.2 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 61.3 t -129.66 95.46 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -71.53 96.29 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.545 ' CB ' HG21 ' A' ' 35' ' ' ILE . 39.9 mmtt -78.28 162.94 64.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.76 -25.91 28.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -135.04 26.38 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.545 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.3 tt -179.69 -179.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.439 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 49.4 mt -148.42 105.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.5 m -116.94 149.42 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.806 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -126.21 137.3 53.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 47' ' ' LYS . 86.9 m-85 -111.61 148.55 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.558 ' N ' ' CZ ' ' A' ' 27' ' ' ARG . 92.6 t -42.31 -38.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -143.72 -175.24 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.571 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.19 32.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.61 -29.26 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt 68.77 44.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -114.38 107.09 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ttmp? -97.47 155.46 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 24.8 mmtt -105.15 -35.14 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.11 -171.98 44.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.5 145.31 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 77.9 mt -112.79 88.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 mt -51.17 109.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 37.8 mt -77.36 146.29 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 55' ' ' GLU . 28.5 m-20 -164.94 149.28 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 7.9 pt-20 -33.81 -37.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 m-80 -61.85 -55.21 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.3 m -54.84 145.39 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.5 t -159.36 164.68 34.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.7 143.79 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -135.47 159.76 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -96.13 126.2 41.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 43.9 mt -97.28 146.22 30.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.653 0.739 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.6 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.5 119.87 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -146.5 164.58 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LYS . 14.7 t0 35.8 42.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.75 46.79 66.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -122.99 179.54 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -150.49 167.9 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 69' ' ' LYS . 59.4 m 34.96 50.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mt -85.56 152.03 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 30.0 p90 -152.11 130.01 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 6.5 tt -118.66 144.35 46.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.4 t -106.35 128.56 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -105.23 127.13 52.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -118.42 176.43 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.3 m-85 -32.07 -72.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.84 -27.84 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.0 155.24 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.3 p -136.58 152.75 50.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 47.1 m-85 -141.54 125.42 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.84 109.91 20.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.2 mt -113.0 154.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.1 t -119.15 130.22 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.14 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.6 t -75.96 -58.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -124.85 155.29 39.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -42.95 -36.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -59.78 -53.23 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -56.62 -60.84 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -36.52 -59.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' TRP . 6.1 tp60 -62.09 -72.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' GLN . 7.3 mm-40 -37.37 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.567 ' CH2' ' HE3' ' A' ' 14' ' ' MET . 36.7 m95 -80.53 -57.18 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.06 -49.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -59.03 -46.37 88.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.43 -52.7 64.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.9 mt -59.89 -49.74 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -47.75 -55.34 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.3 t -61.4 -51.02 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -44.39 -38.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 71.2 mt -74.04 -47.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.5 t60 -47.85 -40.12 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -57.63 -31.25 66.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.05 -29.53 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.454 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 99.4 mttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.425 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 1.6 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.87 0.367 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.69 -47.03 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.5 tttm -127.89 154.03 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -158.08 130.29 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.522 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -176.77 166.78 37.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.465 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 11.1 m-85 -81.09 115.92 20.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 68.1 mtm -127.38 150.83 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 mtp -92.14 111.92 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.27 135.21 44.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.3 tttm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.435 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.2 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.8 p -134.02 132.66 40.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 46.4 tt0 -69.62 96.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.411 ' NH1' ' HD2' ' A' ' 48' ' ' LYS . 8.0 tpp180 -113.77 137.62 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.522 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.7 t-105 -68.07 139.89 56.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 15.8 m-85 -129.04 125.22 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 93.7 t -109.13 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 36' ' ' ILE . 52.4 tp -70.31 119.07 13.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.543 ' CB ' HG23 ' A' ' 35' ' ' ILE . 20.6 mmtt -103.0 162.78 19.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.508 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.2 Cg_endo -69.79 -25.77 28.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -133.94 25.59 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.543 HG23 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.59 178.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.446 HG12 ' CD1' ' A' ' 31' ' ' LEU . 37.1 mt -148.18 105.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.6 167.79 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.573 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 13.3 p90 -150.4 116.26 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.76 168.5 9.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.34 -55.73 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 p -123.29 -175.2 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 16.4 pt-20 -84.69 30.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.411 ' CG ' ' HG3' ' A' ' 45' ' ' LYS . 19.7 t0 -105.11 -27.53 11.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt 66.46 39.91 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG3' ' CG ' ' A' ' 43' ' ' ASP . 17.9 mtpp -100.85 -39.81 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -117.55 113.08 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -86.48 144.99 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD2' ' NH1' ' A' ' 27' ' ' ARG . 8.6 mmpt? -102.89 -42.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.54 -153.77 9.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -159.7 146.95 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' PHE . 37.4 mt -117.05 93.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.2 mt -54.46 113.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 36.2 mt -81.68 141.67 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 55' ' ' GLU . 8.0 m-20 -161.88 150.2 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 11.5 pt-20 -33.02 -42.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 5.5 m-80 -58.93 -55.63 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -51.89 140.92 18.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.9 p -156.18 168.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 60' ' ' GLU . 8.8 p -123.57 140.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.421 ' N ' HG21 ' A' ' 59' ' ' VAL . 17.2 pt-20 -124.54 161.36 26.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 p -100.81 103.45 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -76.57 147.45 78.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -87.12 121.93 30.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -146.7 160.36 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.19 42.46 6.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.72 35.48 91.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -103.82 172.71 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.65 -38.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.0 m -131.92 96.27 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 84' ' ' SER . 26.3 mt -114.04 164.01 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.7 p90 -168.41 130.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 73' ' ' LEU . 4.8 tt -119.91 152.79 36.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.8 t -111.95 128.63 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -106.0 115.38 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -109.6 176.66 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 56' ' ' ASN . 8.7 m-85 -30.66 -71.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.68 -27.73 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -82.42 162.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.462 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 18.7 p -141.5 158.38 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 51' ' ' ILE . 49.5 m-85 -150.67 113.99 4.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -102.32 126.83 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 10.3 mt -132.31 150.88 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.419 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 31.2 t -115.22 150.2 36.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.61 158.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.2 t -86.09 -62.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -113.99 145.15 41.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -41.21 -41.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -50.13 -56.13 12.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -58.03 -50.47 73.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -49.66 -52.4 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -50.74 -60.63 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.512 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 33.8 m95 -48.63 -60.62 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.9 mt -49.44 -48.61 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -57.7 -43.46 85.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.66 -50.96 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.1 mt -58.93 -56.48 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -45.09 -51.27 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -59.09 -46.93 87.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.413 HG21 ' CD1' ' A' ' 53' ' ' LEU . 58.8 m -48.44 -44.43 35.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.4 mt -68.85 -37.89 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.502 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 10.0 t60 -49.28 -45.38 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.14 -32.1 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 53' ' ' LEU . 47.0 mt -72.94 -33.76 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.502 ' CD ' ' HA ' ' A' ' 103' ' ' HIS . 3.2 mtpm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 1.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.23 -48.98 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -127.6 153.45 46.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -158.6 133.21 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.75 159.98 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD1' ' OE2' ' A' ' 26' ' ' GLU . 5.8 m-85 -71.05 120.89 17.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.2 mtm -127.61 147.37 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.4 mtp -92.35 111.14 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -102.48 133.5 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.1 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.5 p -142.4 131.82 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' OE2' ' CD1' ' A' ' 13' ' ' TYR . 31.6 tt0 -64.63 129.76 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -145.81 141.34 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.516 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.2 t-105 -75.25 137.22 41.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 14.9 m-85 -124.28 143.89 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 93.2 t -125.63 98.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.3 tp -74.84 103.5 5.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.547 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.7 mmtt -86.59 162.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.6 Cg_endo -69.68 -26.02 28.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -134.97 26.8 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.547 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.99 179.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 36.3 mt -148.78 105.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 m -115.81 141.65 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 1.6 p90 -123.32 130.27 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 45.2 m-85 -100.82 144.63 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' HB ' ' CE ' ' A' ' 48' ' ' LYS . 7.9 p -52.82 -25.23 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 p -135.69 170.59 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.8 pt-20 -85.78 28.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -106.45 -26.84 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.0 mt 74.09 38.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -107.88 -42.71 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.26 81.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 8.0 ttpm? -60.12 133.74 56.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' CE ' ' HB ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -81.39 -39.8 24.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . 177.82 -178.93 48.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.8 m-20 -132.13 153.14 50.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 55.7 mt -127.86 96.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -56.41 105.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD13 ' CG2' ' A' ' 101' ' ' THR . 31.6 mt -69.28 139.61 54.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 64.5 m-20 -161.54 143.93 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -34.59 -38.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -59.63 -54.17 49.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.3 m -61.16 145.58 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.8 m -159.72 160.99 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.4 148.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -137.9 174.63 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.0 t -112.54 128.21 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.1 mt -100.98 147.98 34.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -165.36 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.42 105.76 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -112.38 143.21 43.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 39.97 34.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 71.26 1.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -125.72 177.93 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.79 -41.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 91.5 m -130.87 96.06 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.2 mt -114.8 162.56 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.561 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 18.4 p90 -171.25 132.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 73' ' ' LEU . 5.4 tt -124.15 155.37 38.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.8 t -117.01 128.45 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.23 135.52 39.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -130.62 176.6 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.6 m-85 -30.1 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -124.35 -23.71 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -87.31 154.37 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.7 p -134.14 139.91 46.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 41.5 m-85 -122.93 117.14 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -103.91 124.9 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.6 mt -132.7 154.58 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 83' ' ' ILE . 47.6 t -128.32 132.1 48.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.07 162.83 13.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -94.36 -55.19 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.52 152.75 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.53 -44.66 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -51.07 -49.46 60.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -63.18 -54.99 28.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.08 -64.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 31.2 tt0 -57.53 -65.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 20.1 mm-40 -37.29 -45.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -63.75 -59.24 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.9 mt -50.81 -45.99 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.48 -49.68 72.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.53 75.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.31 -51.98 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -43.96 -59.82 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.7 m -56.16 -46.0 79.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.409 ' CG2' HD13 ' A' ' 53' ' ' LEU . 87.6 m -46.6 -42.97 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.416 HG21 ' NZ ' ' A' ' 106' ' ' LYS . 33.6 mt -71.54 -40.42 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -48.6 -42.8 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.6 mt -55.77 -35.48 66.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.36 -37.32 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.416 ' NZ ' HG21 ' A' ' 102' ' ' ILE . 34.2 mttp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.481 HG22 ' CG1' ' A' ' 30' ' ' VAL . 2.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.875 0.369 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.52 -45.36 12.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.2 tttp -129.16 155.52 45.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.428 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.6 pt20 -157.44 132.1 8.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.27 168.39 41.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 5.2 m-85 -86.04 110.13 19.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.565 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 69.7 mtm -121.55 157.99 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.2 mtp -104.91 111.85 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -97.24 129.25 44.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 23.4 tttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 97.1 m95 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.0 p -138.9 128.25 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 13' ' ' TYR . 27.0 tt0 -72.09 105.96 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -122.83 132.26 54.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.457 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 54.6 t-105 -61.57 134.4 56.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 16.1 m-85 -119.04 134.31 55.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 8' ' ' VAL . 87.1 t -118.22 95.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.67 106.67 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' CB ' HG23 ' A' ' 35' ' ' ILE . 18.1 mmtp -90.51 163.5 30.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.565 0.698 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.505 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.73 -26.38 27.8 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.746 2.298 . . . . 0.0 112.357 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -135.03 27.2 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.534 HG23 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.76 179.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.431 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 50.2 mt -149.32 104.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 m -114.58 137.7 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.569 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 19.4 p90 -120.76 124.33 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.8 m-85 -100.07 161.36 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.73 -43.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -138.27 -175.27 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.71 35.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -103.05 -31.2 10.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.77 45.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -119.31 -42.68 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.77 92.14 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 21.0 ttmt -70.0 155.34 40.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -113.25 -37.0 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.77 -175.47 45.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.41 139.44 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.562 HD13 ' CD2' ' A' ' 81' ' ' PHE . 64.9 mt -113.08 89.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.88 111.25 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 101' ' ' THR . 58.3 mt -75.75 128.69 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 5.8 m-20 -144.14 143.49 31.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ASP . 13.8 pt-20 -34.58 -36.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.4 m-80 -61.95 -54.96 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.0 m -51.79 152.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.8 p -161.89 165.21 27.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.3 144.99 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -132.45 165.61 23.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.4 t -107.16 117.54 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -101.64 141.31 22.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.87 123.72 32.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 10.4 ptpt -120.62 -52.52 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 65' ' ' LYS . 7.8 m-20 -106.34 73.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.69 48.04 1.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -125.55 -179.05 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.15 144.18 25.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m 61.16 54.79 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.65 143.98 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.56 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 28.7 p90 -150.21 130.98 14.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 tt -119.68 152.73 36.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.4 t -111.86 128.4 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -105.43 122.7 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -116.79 176.53 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.4 m-85 -29.84 -70.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.17 -27.67 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -85.97 159.0 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 p -138.9 153.91 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CD2' HD13 ' A' ' 51' ' ' ILE . 29.1 m-85 -140.5 114.96 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -101.42 122.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.7 mt -129.41 141.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -108.69 128.96 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.39 159.0 20.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.5 p -84.07 -49.87 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -133.85 166.33 22.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -41.95 63.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -51.15 -59.93 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.9 mptm? -59.39 -61.4 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 4.1 tmtt? -34.93 -55.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' TRP . 4.2 tp60 -69.32 -65.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -40.58 -26.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.565 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 32.6 m95 -80.42 -58.28 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.5 mt -55.08 -43.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -62.88 -39.92 95.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.12 -50.91 51.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.2 mt -60.21 -54.79 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.87 -54.67 11.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.5 m -57.92 -45.92 85.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.464 HG23 ' CD1' ' A' ' 53' ' ' LEU . 72.3 m -50.21 -41.7 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.7 mt -71.77 -44.31 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -47.44 -40.07 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.25 -30.81 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.4 mt -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.4 mttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.839 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.17 -54.09 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.3 tttp -129.25 157.88 40.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.1 pt20 -158.31 124.87 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.94 159.3 32.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -81.83 108.24 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.933 0.396 . . . . 0.0 110.958 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 40.7 mtm -118.68 157.85 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.474 ' HE1' ' CB ' ' A' ' 24' ' ' TRP . 15.6 mtp -103.38 112.9 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 30.7 tttm -95.01 146.45 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.426 ' HE3' ' CZ2' ' A' ' 24' ' ' TRP . 26.8 tttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.474 ' CB ' ' HE1' ' A' ' 15' ' ' MET . 94.4 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.0 p -150.69 135.77 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.12 128.5 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -146.26 129.54 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 55.2 t-105 -64.77 115.18 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -98.32 137.66 36.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -120.37 100.57 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 tp -76.59 94.92 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' CB ' HG22 ' A' ' 35' ' ' ILE . 17.2 mmtp -77.08 162.98 67.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.727 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.7 Cg_endo -69.73 -26.02 28.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -134.94 26.92 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.541 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.5 tt 179.87 179.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.423 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 40.2 mt -148.84 105.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.8 m -118.25 146.73 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -118.64 129.6 55.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -106.02 153.12 22.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t -42.48 -57.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 m -126.21 -174.76 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 10.7 pt-20 -83.49 35.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -104.94 -31.58 9.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.9 mt 69.39 39.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -106.53 -41.43 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -116.45 112.5 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -82.46 154.88 24.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -112.97 -41.63 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.88 -166.94 25.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -155.31 139.18 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.562 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 53.8 mt -116.97 96.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.7 mt -54.74 113.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.0 mt -78.42 140.75 38.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' GLU . 66.0 m-20 -161.32 148.43 14.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 3.8 pt-20 -37.38 -33.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 3.4 m-80 -63.62 -57.63 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 96.9 m -50.03 143.04 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.1 p -155.23 173.38 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.2 p -121.56 150.75 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -141.86 142.6 33.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.2 p -81.34 120.64 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.3 mt -98.52 149.36 35.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 179.92 3.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.69 123.91 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -142.25 151.87 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t0 57.18 45.48 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.03 57.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -121.25 -177.19 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -164.01 149.26 10.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 m 55.46 51.6 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 65' ' ' LYS . 3.9 mt -88.39 156.71 19.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.548 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -164.31 136.62 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 tt -123.38 151.5 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.5 t -112.2 128.62 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -105.4 123.88 48.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.478 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.27 176.64 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.35 -71.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -125.36 -27.14 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -85.65 157.49 20.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 38.1 p -135.01 155.68 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 31.3 m-85 -146.94 108.61 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -99.82 129.7 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.5 mt -131.2 157.65 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 p -130.19 119.97 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.43 -179.0 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -112.73 -47.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.35 147.61 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -43.9 -40.73 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -53.77 -59.71 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -56.35 -61.68 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 5.0 tmtt? -37.89 -62.24 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -62.37 -65.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' C ' ' HE2' ' A' ' 10' ' ' LYS . 6.7 mm-40 -37.8 -33.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.519 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 32.4 m95 -77.68 -58.28 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.466 HD12 ' CB ' ' A' ' 72' ' ' PHE . 21.8 mt -52.12 -47.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -58.14 -52.89 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.32 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.0 mt -50.52 -47.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -55.4 -46.73 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 m -65.63 -46.1 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.3 m -50.79 -45.14 59.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.7 mt -66.17 -43.94 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -49.01 -40.26 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.9 mt -58.45 -31.73 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.09 -27.89 48.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 72.9 mttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.846 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 1.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mt -78.57 -53.63 7.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -127.36 156.45 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.7 132.11 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.66 179.66 40.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 10.7 m-85 -104.01 105.39 15.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.553 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 3.2 mpp? -115.23 168.32 10.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.453 ' HE2' ' CB ' ' A' ' 24' ' ' TRP . 49.2 mtp -107.53 110.94 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -98.02 129.96 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 19.3 tttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 96.9 m95 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.776 0.322 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -129.68 137.23 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 36.7 tt0 -74.0 99.63 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.452 ' NH1' ' HB2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -112.81 145.49 40.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 46.7 t-105 -77.17 127.89 33.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.515 ' CG ' ' HE3' ' A' ' 14' ' ' MET . 16.3 m-85 -113.13 147.3 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 98.7 t -130.94 99.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.3 tp -75.75 90.45 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.544 ' CB ' HG21 ' A' ' 35' ' ' ILE . 42.7 mmtt -72.24 163.03 70.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.8 Cg_endo -69.74 -25.77 28.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.94 26.47 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.98 178.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.469 HG13 ' CD1' ' A' ' 53' ' ' LEU . 56.3 mt -149.1 104.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -116.48 158.95 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 8.7 p90 -131.74 129.51 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 88.4 m-85 -104.78 158.33 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 85.2 t -54.49 -45.42 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.4 p -126.87 179.51 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.541 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 17.3 pt-20 -84.05 34.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -107.39 -31.29 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.436 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 16.1 mt 72.39 42.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -109.04 -42.11 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -115.04 98.32 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 25.2 ttpp -77.25 153.24 34.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.4 mmmt -108.64 -42.0 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -166.05 171.79 41.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -132.79 138.14 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 81' ' ' PHE . 20.6 mt -111.46 93.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.7 mt -50.26 108.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 36' ' ' ILE . 14.3 mt -77.81 135.27 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 55' ' ' GLU . 41.3 t0 -169.42 157.22 7.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 54' ' ' ASP . 13.7 pt-20 -33.39 -52.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.604 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -48.63 -53.4 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 m -62.09 131.96 51.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 32.1 p -151.7 153.34 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.61 146.08 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.82 135.4 29.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 m -68.99 143.01 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 73' ' ' LEU . 65.7 mt -117.4 156.06 49.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.72 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 119.21 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.12 150.19 43.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 22.7 t70 60.94 42.75 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.36 52.8 42.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' CB ' HD12 ' A' ' 71' ' ' LEU . 29.3 mmtm -127.35 173.5 9.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -149.94 153.79 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.3 m 52.84 54.6 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 68' ' ' LYS . 3.1 mt -90.32 151.86 21.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.488 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 29.4 p90 -156.83 142.68 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.453 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.9 tt -131.05 155.09 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.74 130.75 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -108.76 124.0 49.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 77' ' ' PHE . 14.4 m -119.34 176.69 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.604 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 5.6 m-85 -30.21 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -122.52 -29.78 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -82.29 155.29 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 p -140.12 148.32 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 51' ' ' ILE . 15.7 m-85 -135.9 124.49 23.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -108.52 124.97 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.488 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.5 mt -130.9 148.37 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 83' ' ' ILE . 32.0 t -117.54 133.36 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.43 175.1 6.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.1 t -100.79 -56.97 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.72 155.44 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -44.73 -38.0 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -52.94 -60.25 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -59.9 -54.67 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -45.98 -61.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -57.73 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.0 mm-40 -37.9 -52.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.553 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 37.4 m95 -57.74 -62.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.4 mt -46.85 -55.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.35 -39.47 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.16 -57.62 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.24 -54.37 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.15 -56.3 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -55.24 -48.24 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.1 m -50.35 -40.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.98 -50.2 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.473 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.5 t60 -42.17 -49.34 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.1 mt -49.16 -37.46 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.34 -33.6 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 68.5 mttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 1.7 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.833 0.349 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.31 -48.98 9.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 33.3 tttm -125.44 155.78 39.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -158.44 134.21 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.424 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 178.86 154.26 12.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD1' ' CD ' ' A' ' 26' ' ' GLU . 12.8 m-85 -69.12 101.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.546 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 60.9 mtm -110.53 146.28 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.406 ' HE1' ' CB ' ' A' ' 24' ' ' TRP . 67.1 mtp -93.03 111.84 23.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' LYS . 12.8 tttm -99.34 120.15 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 8.3 tptp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 70.1 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -153.83 133.9 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.34 144.75 55.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -162.95 137.84 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 34.7 t-105 -66.13 122.84 18.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -114.16 120.17 39.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 94.7 t -104.68 102.11 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.2 tp -81.15 99.89 8.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.518 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 31.8 mmtt -81.51 163.22 55.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.2 Cg_endo -69.71 -23.88 30.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.379 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -134.74 23.41 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.515 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -178.93 178.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.443 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 84.8 mt -148.51 104.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.6 m -114.64 141.55 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.461 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -120.53 125.55 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 64.1 m-85 -103.43 122.37 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -32.95 -34.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 61.8 p -118.52 171.91 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 11.9 pt-20 -96.58 30.65 2.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -113.87 -7.34 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt 63.0 34.61 13.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -99.75 -45.23 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 3.4 m-20 -107.88 119.27 38.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -102.84 146.67 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 2.8 mmmp? -104.23 -45.04 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . -174.67 -177.61 43.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 2.5 m-20 -136.95 130.03 30.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 26.1 mt -96.62 95.68 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -56.73 104.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.4 mt -71.11 139.01 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' GLU . 36.4 t70 -158.0 150.02 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.0 pt-20 -33.65 -45.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -55.22 -55.22 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 58.5 m -52.04 140.9 19.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.03 169.65 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 60' ' ' GLU . 11.3 p -119.58 140.5 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' N ' HG23 ' A' ' 59' ' ' VAL . 8.4 pt-20 -132.96 134.81 45.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.8 m -78.42 135.34 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 mt -109.75 149.52 40.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -172.03 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.242 . . . . 0.0 112.325 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -85.09 121.39 27.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -138.12 147.6 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 52.32 37.79 23.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.52 44.35 90.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -114.55 172.47 7.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -156.91 145.16 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m 57.66 45.38 19.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 mt -85.73 160.54 19.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.503 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 36.1 p90 -162.05 133.65 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 73' ' ' LEU . 5.0 tt -122.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -105.06 128.46 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -108.97 132.77 53.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.55 176.65 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.69 -71.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -123.9 -28.98 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.78 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 14.6 p -134.17 152.84 52.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 39.5 m-85 -144.44 122.29 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -106.99 122.06 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.503 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 15.3 mt -126.48 147.99 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 47.7 t -115.4 129.01 56.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.26 155.06 21.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' OD2' ' CB ' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -128.49 153.33 47.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -43.05 -39.99 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.422 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 51.5 tttm -54.53 -59.0 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -58.86 -52.29 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.52 -55.89 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.7 tp-100 -64.57 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' GLN . 16.5 mt-10 -36.99 -45.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.546 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 39.1 m95 -62.14 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mt -48.52 -51.88 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -55.42 -45.66 76.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.7 -55.76 29.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -50.01 -52.25 35.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 t -59.91 -50.3 74.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 33' ' ' PRO . 33.6 m -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.8 mt -75.77 -46.96 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.9 t60 -46.11 -42.73 14.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.89 -33.23 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.5 mt -76.01 -34.84 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.6 mttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.473 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 2.1 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.876 0.369 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.03 -50.14 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.0 tttp -121.35 156.74 31.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -158.61 131.51 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.532 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 177.84 161.54 26.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.466 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 3.9 m-85 -76.78 121.09 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.8 mtm -129.89 148.98 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.3 mtp -94.86 121.36 36.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -108.66 133.48 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 tttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.857 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 77.6 m95 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 p -142.04 137.59 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 19.5 tt0 -66.73 118.23 9.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -139.32 130.56 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.532 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 29.8 t-105 -59.22 140.04 56.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.3 m-85 -128.29 133.84 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 92.0 t -116.09 92.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.07 92.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.553 ' CB ' HG22 ' A' ' 35' ' ' ILE . 21.2 mmtt -76.96 162.9 68.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.77 -26.37 27.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -135.01 27.26 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.553 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.5 tt -179.97 179.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.451 HG13 ' CD1' ' A' ' 53' ' ' LEU . 48.9 mt -149.07 105.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.6 p -114.51 140.83 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.407 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 7.2 p90 -121.87 129.8 52.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' SER . 49.9 m-85 -106.73 126.58 52.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -36.23 -29.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 21.8 p -129.08 167.22 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.503 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 22.5 pt-20 -88.68 33.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.86 -19.54 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.5 mt 66.2 40.21 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -122.64 -38.64 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 7.3 t0 -104.09 102.42 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -93.32 145.24 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -104.82 -42.35 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.84 -169.81 29.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -147.95 141.02 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.567 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 28.0 mt -114.01 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 mt -53.43 108.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 36' ' ' ILE . 36.7 mt -77.91 131.17 37.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 11.9 m-20 -156.11 154.57 31.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.2 pt-20 -33.83 -46.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -52.27 -53.95 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.7 m -57.74 149.08 22.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.1 p -162.13 163.83 28.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 p -111.6 143.98 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -128.37 167.48 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -106.26 106.64 17.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 63.3 mt -75.89 154.67 84.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.613 0.721 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.16 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.65 103.34 15.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 154.09 44.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD2' ' NE1' ' A' ' 24' ' ' TRP . 26.9 t0 67.51 40.72 2.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.19 68.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -124.58 171.78 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -134.03 -45.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.9 87.89 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.406 HD22 ' CH2' ' A' ' 24' ' ' TRP . 22.8 mt -109.52 152.04 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.421 ' CE2' ' HB ' ' A' ' 83' ' ' ILE . 43.1 p90 -159.35 133.75 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 4.5 tt -122.34 148.72 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -108.38 128.17 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 21.2 mtpt -104.12 126.28 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -120.29 176.65 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.9 m-85 -29.82 -72.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -125.03 -26.87 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -83.68 150.29 25.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.7 p -132.93 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 38.9 m-85 -139.58 120.95 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.24 117.47 34.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 84' ' ' SER . 15.7 mt -120.77 154.36 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 45.4 t -124.61 129.68 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.33 140.36 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 t -72.86 -58.04 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 155.62 26.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -49.17 -42.51 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -47.99 -60.31 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -56.11 -53.6 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.78 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' GLU . 16.9 tt0 -54.75 -67.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' GLN . 35.2 mm-40 -37.28 -57.71 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.517 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 39.6 m95 -51.84 -67.86 0.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.2 mt -43.58 -55.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -53.62 -46.31 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.41 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.3 mt -55.88 -55.21 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -48.56 -54.98 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.6 m -58.43 -49.74 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.6 m -46.55 -43.64 17.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.9 mt -67.63 -43.95 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -45.38 -44.68 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.9 mt -54.49 -36.15 63.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 mt -76.74 -29.15 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.8 mttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.479 HG23 ' CG1' ' A' ' 30' ' ' VAL . 3.7 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.03 -43.62 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 24.3 tttm -129.43 156.23 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 2.3 pt20 -158.38 132.56 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.88 173.48 46.05 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -88.14 117.02 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.42 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 65.7 mtm -127.95 147.2 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mtp -92.67 110.05 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.14 137.7 33.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.9 tttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.545 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 97.7 m95 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -136.21 132.45 35.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.8 125.87 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -141.07 163.7 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.467 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 50.2 t-105 -89.07 133.47 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -121.58 127.07 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 8' ' ' VAL . 98.6 t -110.95 95.43 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.09 120.1 15.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.541 ' CB ' HG21 ' A' ' 35' ' ' ILE . 18.3 mmtp -104.65 162.49 19.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.502 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.6 Cg_endo -69.82 -26.81 26.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -132.17 25.05 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.541 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.4 tt -179.45 179.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.43 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 44.2 mt -147.59 105.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.7 t -98.58 167.27 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 24.5 p90 -153.81 118.39 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 12.5 m-85 -107.42 152.91 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.7 t -49.58 -43.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.61 179.3 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.467 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.9 pt-20 -84.65 33.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.2 -23.05 12.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.2 mt 62.8 42.96 7.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -111.19 -46.41 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.52 87.86 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -75.49 136.58 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 30.2 mmtt -89.43 -47.4 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.71 -151.04 7.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -160.12 137.54 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 24.0 mt -107.45 94.98 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.22 112.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' HG13 ' A' ' 36' ' ' ILE . 33.9 mt -79.47 138.25 37.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ASN . 29.0 t70 -159.83 148.42 17.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.1 pt-20 -34.37 -35.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 4.6 m-80 -63.92 -56.98 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.65 148.25 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.8 p -162.34 157.16 22.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 95' ' ' ILE . 10.6 p -107.02 147.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.56 155.82 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 p -97.4 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.5 mt -119.75 142.88 33.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.85 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.56 126.73 35.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -123.19 -46.72 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -110.17 58.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.83 36.8 92.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 34.8 mmtm -104.71 -176.32 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 3.1 mptp? -132.75 -58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.47 86.97 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 68' ' ' LYS . 7.7 mt -101.46 151.72 21.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.562 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -155.49 133.79 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 73' ' ' LEU . 6.2 tt -116.77 142.43 46.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -104.56 128.53 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HD3' ' CG2' ' A' ' 80' ' ' THR . 2.5 mmtp -106.23 150.4 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -143.1 175.7 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 56' ' ' ASN . 11.0 m-85 -33.73 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -117.8 -29.87 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -82.3 155.68 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.474 ' CG2' ' HD3' ' A' ' 75' ' ' LYS . 8.5 p -138.91 136.5 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 3.2 m-85 -126.25 143.49 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -126.28 132.92 51.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.562 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.6 mt -136.46 148.38 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 t -120.09 149.59 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.82 156.56 30.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -95.95 -48.07 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -108.38 139.03 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -45.99 -44.6 15.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -46.64 -55.78 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.47 -61.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 2.6 tmtt? -43.13 -67.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -49.02 -67.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 43.0 m95 -46.29 -63.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.457 ' CG2' HG12 ' A' ' 59' ' ' VAL . 6.8 mt -48.58 -41.08 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.5 -49.79 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.53 69.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 62.7 mt -58.12 -57.76 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -48.26 -56.61 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 m -57.89 -46.24 85.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.5 m -52.78 -32.1 41.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.69 -41.3 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.481 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.4 t60 -50.11 -41.09 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.2 mt -57.95 -31.53 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.4 mt -78.15 -21.16 50.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 81.2 mttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.472 HG22 ' CG1' ' A' ' 30' ' ' VAL . 41.5 t . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.1 mt -77.48 -60.45 2.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -126.67 153.98 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.73 135.85 9.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.35 168.62 40.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.67 101.75 12.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 110.969 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 53.7 mtm -110.24 162.02 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtp -109.65 110.7 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -103.85 147.86 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.402 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 12.2 ttpp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.422 ' CE3' ' OG ' ' A' ' 84' ' ' SER . 61.4 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.826 0.346 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 p -138.93 123.41 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.52 144.73 46.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 28.0 mtm-85 -165.1 143.56 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 52.2 t-105 -71.11 135.98 47.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 10.6 m-85 -121.06 148.91 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' SER . 51.4 t -131.34 101.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 tp -81.26 100.83 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.503 ' CB ' HG23 ' A' ' 35' ' ' ILE . 1.4 mmpt? -87.88 161.89 42.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -22.85 31.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.616 2.21 . . . . 0.0 112.387 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -135.04 23.92 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.503 HG23 ' CB ' ' A' ' 32' ' ' LYS . 3.3 tt 179.93 177.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.442 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 43.2 mt -150.33 104.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 19.7 m -113.74 144.79 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.474 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 7.2 p90 -128.26 123.17 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.501 ' CD1' HD22 ' A' ' 44' ' ' LEU . 47.9 m-85 -100.56 153.06 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -43.41 -41.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.42 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 3.9 m -140.55 -176.0 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.75 34.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -104.8 -26.18 12.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.501 HD22 ' CD1' ' A' ' 39' ' ' TYR . 15.3 mt 63.61 41.84 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -112.67 -44.21 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.41 92.37 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -75.25 144.58 42.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.56 -44.1 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -172.18 -159.75 19.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -154.12 135.42 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.502 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 69.0 mt -107.85 102.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.2 104.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 20.9 mt -70.33 139.03 51.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.3 m-20 -161.89 146.86 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 9.8 pt-20 -34.42 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.8 m120 -58.13 -57.14 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.7 m -56.86 147.77 22.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.5 m -160.74 159.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.4 p -107.52 141.65 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.09 159.23 41.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.0 p -89.97 143.83 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 73' ' ' LEU . 20.1 mt -115.91 151.09 46.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -165.12 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.27 126.89 41.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.69 157.48 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 t70 44.71 34.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.33 45.64 94.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -117.75 158.26 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.72 143.74 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.0 m 62.12 49.14 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.79 145.87 27.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.516 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.0 p90 -146.88 136.34 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.454 ' N ' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -123.82 151.3 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.406 ' N ' HD21 ' A' ' 73' ' ' LEU . 80.8 t -108.38 128.43 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -104.87 117.39 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.65 176.7 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.0 m-85 -28.55 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -125.24 -31.18 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -82.1 153.66 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -135.18 151.39 50.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.502 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 24.7 m-85 -134.31 114.23 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -100.36 109.65 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.2 mt -115.24 152.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.422 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 2.5 p -125.53 133.1 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.28 178.12 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -111.91 -56.33 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -102.83 145.83 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -49.77 -44.26 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -53.4 -44.46 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -64.13 -59.92 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.28 -61.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 47.1 tt0 -55.47 -67.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.6 mm-40 -37.46 -50.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.45 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 37.6 m95 -55.92 -58.26 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.7 mt -53.66 -55.2 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -54.63 -44.62 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.2 -54.27 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.8 mt -58.18 -51.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -51.67 -52.85 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.1 m -59.55 -51.1 71.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.9 m -48.28 -41.41 27.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.3 mt -63.63 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.39 -39.08 82.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.76 -25.64 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.06 -31.3 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 27.4 mttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -89.6 -57.33 2.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.9 tttp -127.72 159.75 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.32 136.42 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.63 164.85 33.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -85.51 102.97 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.499 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 29.3 mtm -109.88 155.99 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.476 ' HE2' ' N ' ' A' ' 25' ' ' THR . 22.4 mtp -104.47 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.23 152.47 19.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 34.4 tttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 93.5 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HE2' ' A' ' 15' ' ' MET . 8.9 t -138.34 137.52 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -70.96 103.35 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -121.35 132.19 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -63.78 144.03 57.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.8 m-85 -130.26 144.39 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -127.6 96.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.7 tp -71.95 100.24 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 41.9 mmtt -81.3 163.48 54.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.548 0.69 . . . . 0.0 110.92 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.0 Cg_endo -69.76 -27.15 26.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' PRO . 1.5 m-20 -133.73 25.16 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.525 HG23 ' CB ' ' A' ' 32' ' ' LYS . 1.7 tt -178.61 -178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.428 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 53.7 mt -148.7 104.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 m -113.88 145.33 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 9.3 p90 -124.77 140.25 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 23.1 m-85 -117.85 156.75 27.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.7 t -46.67 -48.61 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -133.98 -174.93 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -84.18 34.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -107.15 -29.31 9.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 mt 67.03 45.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 -40.33 3.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -112.24 85.33 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 29.0 ttpt -63.04 150.73 41.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -108.54 -43.34 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.91 -168.12 37.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -148.06 145.67 28.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.561 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 38.6 mt -116.85 98.05 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD2' HD12 ' A' ' 35' ' ' ILE . 45.2 mt -51.96 112.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.72 132.86 36.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -154.25 147.05 24.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 6.2 pt-20 -34.43 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.3 m-80 -60.0 -52.64 64.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 54' ' ' ASP . 90.8 m -52.74 133.43 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.1 m -141.41 159.92 41.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 60' ' ' GLU . 12.7 p -118.92 140.45 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -133.19 159.52 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -102.42 120.5 40.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 17.9 mt -93.01 150.91 40.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.78 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.367 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.95 115.69 28.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 147.65 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 52.3 36.88 20.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.51 46.79 74.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -121.14 166.32 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.451 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -148.51 143.35 26.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.17 49.67 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 84' ' ' SER . 12.2 mt -88.76 139.76 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 33.9 p90 -140.38 129.92 24.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.436 ' C ' HD21 ' A' ' 73' ' ' LEU . 3.7 tt -115.5 142.39 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.5 132.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.16 144.23 44.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.9 m -132.29 176.73 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 10.6 m-85 -30.25 -70.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.83 -29.33 4.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 79' ' ' LYS . 1.3 mtmp? -84.28 153.31 23.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.9 p -139.28 149.64 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.561 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 22.9 m-85 -139.52 145.83 39.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.71 125.64 38.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 6.6 mt -130.86 147.07 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 83' ' ' ILE . 97.8 p -116.64 132.09 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.06 163.48 16.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.4 p -88.14 -33.96 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.34 175.57 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.74 -36.93 77.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -55.52 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -54.0 -53.26 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -66.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' GLU . 6.1 tp60 -56.77 -64.97 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' GLN . 29.7 mt-10 -37.34 -51.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.468 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 29.3 m95 -61.16 -66.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.5 mt -42.06 -54.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.91 -39.26 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -55.16 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 mt -56.65 -45.37 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.49 -48.73 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 m -64.18 -49.1 73.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.0 m -49.71 -44.34 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.1 mt -69.09 -43.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -48.26 -39.22 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.4 mt -60.14 -37.97 81.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.18 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.7 mttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.812 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.883 0.373 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.0 mt -78.38 -57.29 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.5 tttp -127.97 156.84 42.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -158.52 136.85 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.85 159.65 20.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.557 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -74.43 121.58 21.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.413 ' CE ' HG21 ' A' ' 83' ' ' ILE . 67.0 mtm -131.68 148.77 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.0 mtp -92.35 114.09 26.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -102.78 128.97 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 39.9 tttm . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.499 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.5 m95 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -124.39 135.2 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.6 133.88 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -152.69 159.3 43.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 38.6 t-105 -82.33 136.8 34.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 12.3 m-85 -125.51 127.76 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 37' ' ' SER . 98.9 t -113.16 102.52 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.8 tp -79.76 100.08 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.523 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 42.2 mmtt -82.54 163.57 51.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.523 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.82 -24.59 29.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 24.36 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.521 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.02 178.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 HG13 ' CD1' ' A' ' 53' ' ' LEU . 62.3 mt -148.56 104.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 21.3 m -112.66 132.87 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.525 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 3.0 p90 -116.34 116.81 28.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.51 ' CD1' HD23 ' A' ' 44' ' ' LEU . 39.9 m-85 -92.58 141.34 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.54 -24.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -130.55 169.77 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.53 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.3 pt-20 -90.28 30.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -113.27 -15.19 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 39' ' ' TYR . 23.8 mt 67.75 29.56 6.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -93.79 -42.36 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.01 107.77 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 21.1 ttpt -87.02 130.24 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.63 -43.32 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.82 -160.56 19.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.47 150.52 28.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 81' ' ' PHE . 34.6 mt -126.02 94.67 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.96 105.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 36' ' ' ILE . 34.6 mt -76.73 133.61 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.2 t70 -162.94 150.65 13.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 54' ' ' ASP . 15.7 pt-20 -28.91 -42.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.9 m-80 -57.36 -55.9 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' ASP . 69.2 m -57.63 148.34 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.5 p -161.59 165.88 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 60' ' ' GLU . 7.3 p -112.45 138.17 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.442 ' N ' HG21 ' A' ' 59' ' ' VAL . 5.1 mm-40 -126.95 143.57 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.6 p -82.51 122.0 27.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.49 153.81 38.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.84 108.89 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -142.42 150.65 40.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 72.72 34.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.22 48.75 62.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -115.56 176.82 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.5 mptp? -130.86 -46.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 m -134.22 97.89 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CD1' ' HD3' ' A' ' 65' ' ' LYS . 33.4 mt -106.72 168.03 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 14.9 p90 -175.1 133.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 73' ' ' LEU . 2.8 tt -125.81 155.41 41.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.7 t -111.06 128.33 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -100.73 118.77 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -112.57 176.8 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.8 m-85 -28.39 -74.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -125.04 -24.9 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -87.67 155.14 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.439 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 64.3 p -132.47 160.83 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 51' ' ' ILE . 32.6 m-85 -147.12 113.41 5.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -98.32 126.39 43.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.523 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 12.8 mt -130.29 142.93 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t -114.21 146.44 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.35 147.21 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -75.43 -58.62 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -113.4 145.1 41.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -41.95 -42.47 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -56.74 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -59.77 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -42.03 -65.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 93' ' ' GLU . 20.8 tt0 -51.63 -70.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' GLN . 9.7 mm-40 -37.01 -56.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.494 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 40.2 m95 -50.4 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.427 ' CG2' HG12 ' A' ' 59' ' ' VAL . 18.7 mt -44.85 -47.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.45 -44.61 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 -55.97 16.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 mt -56.04 -52.86 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -49.94 -55.43 14.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.9 m -57.52 -42.1 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.2 m -53.31 -42.25 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.424 HG23 ' NZ ' ' A' ' 106' ' ' LYS . 32.9 mt -71.51 -33.88 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -53.56 -36.07 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.2 mt -71.58 -34.92 70.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 mt -62.6 -25.51 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 9' ' ' LEU . 7.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' N ' HG22 ' A' ' 8' ' ' VAL . 20.7 mt -95.5 -49.12 5.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 11.6 tttp -129.45 152.44 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.92 134.47 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.64 152.01 10.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -66.48 106.45 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 56.6 mtm -112.95 151.71 30.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.8 mtp -91.41 112.35 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' NZ ' ' CE2' ' A' ' 38' ' ' TYR . 21.2 tttt -100.62 118.58 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 16.7 ttpp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 17' ' ' LYS . 77.3 m95 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.412 HG21 ' NH1' ' A' ' 27' ' ' ARG . 10.2 t -149.06 140.17 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.6 150.95 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.412 ' NH1' HG21 ' A' ' 25' ' ' THR . 40.1 mtm-85 -167.38 145.59 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 55.7 t-105 -72.62 132.12 43.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 83' ' ' ILE . 12.9 m-85 -117.71 139.93 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 8' ' ' VAL . 53.9 t -124.87 90.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' CD2' ' HB1' ' A' ' 97' ' ' ALA . 9.8 tp -70.94 106.01 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.525 ' CB ' HG22 ' A' ' 35' ' ' ILE . 2.4 mptt -91.12 165.44 21.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -25.64 28.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -134.73 25.48 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.525 HG22 ' CB ' ' A' ' 32' ' ' LYS . 4.7 tt -179.32 174.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -149.43 105.27 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 p -103.92 170.12 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 4.3 p90 -148.45 125.43 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.432 ' CD1' HD21 ' A' ' 44' ' ' LEU . 40.0 m-85 -111.29 134.88 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.469 ' CG1' ' HD3' ' A' ' 48' ' ' LYS . 11.5 m -47.53 -19.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -140.66 172.44 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 12.4 pt-20 -90.08 27.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -104.33 -12.1 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 39' ' ' TYR . 12.2 mt 58.02 37.78 26.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -110.46 -40.8 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -105.34 90.96 3.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.9 141.49 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.6 mmmt -103.11 -17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.93 -165.21 35.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -152.71 140.11 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 81' ' ' PHE . 12.9 mt -105.71 93.91 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -55.38 105.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.21 147.36 48.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' GLU . 19.0 t70 -174.04 148.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.492 ' OE2' ' ND2' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -34.37 -39.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.492 ' ND2' ' OE2' ' A' ' 55' ' ' GLU . 8.7 m-80 -57.54 -54.53 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.14 155.14 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 p -166.43 156.78 12.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.6 147.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -137.27 149.62 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 m -97.18 126.3 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.3 mt -109.86 146.44 34.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -168.94 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.12 110.82 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' ASP . 14.4 ttmm -109.33 141.5 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 16.3 t70 34.66 46.34 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.49 55.98 7.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 15.2 mmtp -130.0 174.1 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -147.65 152.51 37.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.5 m 46.04 53.57 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 68' ' ' LYS . 2.8 mt -86.84 166.14 15.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 28.5 p90 -167.66 134.99 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 73' ' ' LEU . 4.2 tt -127.94 147.29 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.35 128.46 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -104.14 122.47 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -113.93 176.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 12.5 m-85 -28.48 -72.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -125.31 -28.34 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -84.36 152.71 23.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 31.9 p -131.07 159.37 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 51' ' ' ILE . 28.9 m-85 -145.03 122.05 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -110.64 120.31 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.4 mt -126.31 151.43 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.9 t -122.61 131.59 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.29 158.56 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -81.97 -59.03 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -118.37 167.12 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.23 -32.41 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.52 -60.24 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.6 mptm? -54.59 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LYS . 7.4 tmtt? -36.39 -64.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' TRP . 2.2 tp60 -62.36 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' GLN . 32.3 mm-40 -37.66 -31.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.43 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 34.5 m95 -79.77 -65.75 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.4 mt -45.83 -42.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -58.29 -52.83 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 31' ' ' LEU . . . -58.62 -53.21 60.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.16 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -43.36 -57.19 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 t -55.86 -53.13 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.0 m -43.82 -43.12 6.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 54.0 mt -71.21 -47.3 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -45.75 -41.84 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.6 mt -57.25 -33.42 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.22 -34.92 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 76.4 mttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.834 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.422 ' CG2' HG13 ' A' ' 30' ' ' VAL . 7.1 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -79.09 -51.29 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 26.8 tttp -124.84 156.8 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.515 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 pt20 -158.58 132.89 7.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.438 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 176.67 145.67 5.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.3 118.06 8.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.378 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.444 ' HE3' ' CE3' ' A' ' 94' ' ' TRP . 62.1 mtm -127.98 151.94 48.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 mtp -95.7 118.01 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -103.16 139.54 38.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.9 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.6 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.0 p -141.07 135.79 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.1 149.91 47.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -165.93 141.35 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 45.7 t-105 -67.39 135.69 53.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.67 130.95 53.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.422 HG13 ' CG2' ' A' ' 8' ' ' VAL . 97.8 t -116.45 95.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.3 tp -75.33 97.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.523 ' CB ' HG23 ' A' ' 35' ' ' ILE . 35.4 mmtt -79.6 163.8 56.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.517 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.74 -25.46 28.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -134.95 25.58 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.523 HG23 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.74 178.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.434 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 67.3 mt -149.38 104.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.1 m -108.57 154.3 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 11.5 p90 -130.75 127.91 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.5 m-85 -110.74 124.19 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -33.61 -33.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' TYR . 7.5 t -124.88 -175.03 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.0 pt-20 -104.36 28.86 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -101.46 -11.17 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt 60.08 33.56 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -109.31 -41.9 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.9 t0 -104.53 107.48 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 30.4 ttpt -100.6 144.6 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 48.1 mmtt -101.32 -45.53 5.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.18 -179.03 41.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.51 133.51 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.557 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 16.5 mt -97.55 97.74 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.8 mt -54.84 108.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 mt -76.02 150.12 37.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' GLU . 1.2 p30 -172.5 148.82 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 54' ' ' ASP . 8.5 pt-20 -33.76 -51.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 m120 -49.75 -53.66 23.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.0 m -54.74 139.61 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.7 t -153.95 169.64 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 95' ' ' ILE . 7.2 p -120.48 150.02 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -133.55 162.53 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -102.99 113.15 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.1 mt -87.62 149.94 47.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -168.79 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -83.65 128.13 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.25 158.71 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 50.01 41.04 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.87 54.12 33.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' HZ1' ' CB ' ' A' ' 84' ' ' SER . 32.9 mmtp -134.41 169.74 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -131.75 -41.31 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m -121.6 91.49 3.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -113.24 153.27 28.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' ILE . 24.3 p90 -157.72 134.08 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 73' ' ' LEU . 4.6 tt -125.59 149.51 48.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.88 128.63 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -105.45 122.36 45.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.5 176.63 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.0 m-85 -30.1 -71.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -125.47 -26.01 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -84.48 151.1 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.407 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 34.7 p -133.06 154.92 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 32.8 m-85 -145.41 109.2 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -94.33 119.79 33.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 84' ' ' SER . 12.5 mt -121.29 151.03 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.472 ' N ' HG21 ' A' ' 83' ' ' ILE . 31.6 t -116.28 141.0 48.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.96 160.65 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.8 t -87.2 -56.71 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.11 157.23 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -41.04 -38.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -51.25 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -53.42 -57.09 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -63.51 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 26.0 tt0 -58.66 -65.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 23.3 mm-40 -37.72 -55.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.499 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -56.03 -57.04 13.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.424 HG23 ' CG1' ' A' ' 59' ' ' VAL . 14.4 mt -50.05 -54.72 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -54.92 -42.8 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.87 -57.52 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 60.5 mt -57.83 -55.06 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -47.57 -56.67 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -57.47 -47.63 81.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -48.14 -37.69 16.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.411 ' CG2' ' HA ' ' A' ' 55' ' ' GLU . 33.1 mt -68.11 -43.25 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 5.3 t60 -51.1 -40.26 58.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.27 -34.89 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.45 -32.88 68.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.443 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 61.8 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -87.36 -54.46 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.9 tttp -124.11 153.17 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -158.46 127.84 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.63 162.86 33.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 4.5 m-85 -81.89 112.4 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.472 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 71.0 mtm -121.63 157.2 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.422 ' HE2' ' C ' ' A' ' 24' ' ' TRP . 6.7 mtp -97.18 122.13 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -111.02 128.32 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.1 tttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.479 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 95.4 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.7 p -141.99 140.35 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 1.5 tp10 -73.12 137.09 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -148.27 141.45 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -77.1 125.08 28.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -108.94 148.02 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.6 t -133.08 87.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.07 98.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.536 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.2 mmtp -81.18 163.15 56.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.854 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.75 -25.67 28.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.244 . . . . 0.0 112.399 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.01 26.35 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.536 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.4 tt -179.91 179.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.429 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 61.5 mt -148.83 105.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -108.86 170.04 8.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -150.07 117.52 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 9.3 m-85 -91.88 147.53 22.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 p -56.79 -16.56 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -150.16 174.84 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -87.54 28.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.16 -13.33 17.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 20.7 mt 52.71 50.26 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -129.2 -38.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.52 85.03 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.521 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 7.9 ttmt -63.86 142.92 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.59 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 50' ' ' ASP . . . -169.56 -152.66 8.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -163.07 137.32 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.563 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 89.5 mt -114.67 89.9 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -51.67 105.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' CD1' HG13 ' A' ' 36' ' ' ILE . 13.7 mt -71.62 142.65 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 10.8 t70 -167.24 153.09 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 5.2 pt-20 -37.68 -50.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.51 ' ND2' ' H ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -49.93 -47.29 52.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.51 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 93.2 m -64.76 140.19 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.0 m -156.29 165.26 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.58 149.33 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.5 125.32 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 p -74.43 129.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.8 mt -119.62 142.41 32.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.594 0.712 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.44 117.09 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 -27.48 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' LYS . 10.8 t0 -128.51 76.61 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 35.32 30.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 66' ' ' ASP . 23.2 mmtm -116.0 169.89 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -137.72 143.07 41.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.8 m 61.79 50.15 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mt -82.74 150.31 26.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 46.8 p90 -151.09 135.21 16.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.425 ' C ' HD21 ' A' ' 73' ' ' LEU . 5.1 tt -122.22 142.8 50.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 75' ' ' LYS . 92.3 t -104.7 135.27 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' N ' HG13 ' A' ' 74' ' ' VAL . 6.9 mtpm? -110.72 130.72 55.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -124.51 176.42 6.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.6 m-85 -31.4 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -123.71 -28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -81.95 151.55 27.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.0 p -134.41 147.14 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 40.8 m-85 -137.67 130.38 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -117.73 125.41 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 7.3 mt -128.94 156.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 p -115.71 154.77 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 91' ' ' LYS . . . -120.02 152.24 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -82.24 -54.62 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.97 175.03 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -61.82 -30.93 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -61.52 -64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -47.4 -60.14 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.69 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' GLU . 29.5 tt0 -55.39 -65.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' GLN . 36.7 mt-10 -37.55 -44.65 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -66.93 -58.98 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 mt -51.88 -56.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -49.99 -41.67 47.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.65 -62.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.1 mt -50.77 -52.75 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.28 -52.64 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.3 m -60.2 -48.42 81.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.1 m -49.07 -42.19 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.7 mt -66.06 -47.46 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -42.91 -44.19 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.81 -36.6 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.7 mt -75.42 -32.74 60.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.451 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 69.2 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' A' ' 30' ' ' VAL . 1.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.859 0.362 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mt -89.7 -51.35 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -122.35 153.68 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -158.85 132.64 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.38 170.88 44.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.7 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.954 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.451 ' HE1' ' CZ3' ' A' ' 94' ' ' TRP . 62.2 mtm -114.49 151.47 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -98.88 112.38 24.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -96.91 142.91 28.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.7 tttp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 89.3 m95 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -133.44 138.92 46.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.35 131.27 40.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -145.78 144.84 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 33.8 t-105 -74.51 138.95 43.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 21.7 m-85 -127.5 136.85 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 8' ' ' VAL . 44.2 t -120.37 94.4 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.1 96.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.553 ' CB ' HG21 ' A' ' 35' ' ' ILE . 18.9 mmtp -80.25 163.06 59.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.571 0.701 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.5 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.76 -26.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 27.44 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.553 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt 179.75 179.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.44 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 30.0 mt -148.71 105.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -112.41 133.9 54.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 6.7 p90 -119.18 116.76 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' A' ' 44' ' ' LEU . 54.3 m-85 -91.17 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.6 -28.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -137.57 171.05 15.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.5 pt-20 -87.3 23.83 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.0 -21.6 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 39' ' ' TYR . 23.5 mt 70.52 42.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -108.59 -47.53 3.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.69 98.26 6.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.92 138.44 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.583 ' CB ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -79.74 -40.12 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.63 -169.6 42.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.548 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.05 143.46 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.567 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 86.1 mt -121.64 96.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.6 mt -59.87 109.79 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 35' ' ' ILE . 33.2 mt -79.7 142.41 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.7 t70 -170.81 152.59 3.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 16.9 pt-20 -32.68 -43.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.502 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 2.2 m-80 -55.92 -58.54 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.3 m -58.95 143.44 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 28.7 p -157.27 158.36 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 p -112.5 140.22 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -132.91 166.19 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.7 p -96.87 140.7 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 28.7 mt -110.91 153.5 43.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -173.03 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.14 119.71 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 12.0 ptpt -147.35 166.13 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 t70 41.43 41.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.02 51.08 58.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -117.84 174.76 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -133.86 -41.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.5 m -132.71 97.67 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.415 ' CD1' ' HG2' ' A' ' 65' ' ' LYS . 15.6 mt -113.61 158.24 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.556 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 32.2 p90 -159.09 129.98 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 7.8 tt -117.89 146.72 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.3 t -112.26 128.44 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -103.44 136.11 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.4 176.11 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 14.2 m-85 -33.28 -72.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -120.33 -31.95 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 166.18 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.5 p -142.06 161.2 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 80.2 m-85 -149.36 126.56 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -113.54 120.87 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.556 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 23.3 mt -123.14 154.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 83' ' ' ILE . 44.1 t -124.12 135.24 53.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.25 154.6 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -76.75 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -114.74 159.77 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 15.8 ptpt -48.74 -36.76 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 33.1 tttt -54.07 -64.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -52.77 -49.72 64.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -48.93 -57.21 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.33 -65.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -40.95 -47.9 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.451 ' CZ3' ' HE1' ' A' ' 14' ' ' MET . 36.1 m95 -62.96 -62.35 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.2 mt -47.82 -57.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.37 -50.94 68.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.11 -48.6 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.11 -48.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -48.34 -57.9 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.5 t -56.51 -44.97 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.1 m -47.57 -40.84 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.52 -45.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 4.2 t60 -44.78 -49.18 10.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.2 mt -49.14 -36.03 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 mt -74.92 -39.59 61.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 85.1 mttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.422 ' CG2' HG12 ' A' ' 30' ' ' VAL . 5.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 mt -79.07 -45.11 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 28.8 tttm -129.17 155.67 45.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 4.2 pt20 -158.52 134.45 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.67 147.29 6.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.452 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 15.2 m-85 -64.76 112.12 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.572 ' HE3' ' CZ3' ' A' ' 94' ' ' TRP . 24.6 mtm -115.89 163.03 16.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.4 mtp -111.52 111.82 23.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -101.72 137.95 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 33.3 tttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.453 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 70.0 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.359 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -147.98 136.86 21.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 12.1 tt0 -77.69 142.02 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -157.45 137.19 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 53.9 t-105 -67.44 114.64 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 15.6 m-85 -100.17 123.32 44.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.422 HG12 ' CG2' ' A' ' 8' ' ' VAL . 95.1 t -109.43 96.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 tp -72.21 112.67 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.536 ' CB ' HG23 ' A' ' 35' ' ' ILE . 25.3 mmtt -96.59 163.68 19.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.544 0.688 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.507 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.0 Cg_endo -69.76 -26.19 27.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -135.01 26.95 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.536 HG23 ' CB ' ' A' ' 32' ' ' LYS . 3.1 tt 179.83 178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.427 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 87.6 mt -149.29 105.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.8 p -104.31 169.32 8.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.11 117.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 56.0 m-85 -103.67 125.01 49.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -34.5 -32.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.6 t -126.09 176.18 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 20.4 pt-20 -97.33 31.51 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.04 -8.83 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt 57.82 37.01 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -110.31 -46.0 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.491 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.0 t0 -103.34 113.36 26.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -101.19 147.12 26.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -106.56 -40.94 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.99 -172.94 37.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -146.8 131.3 17.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.806 0.336 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 81' ' ' PHE . 33.3 mt -99.4 94.24 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.86 108.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 19.4 mt -72.23 128.68 36.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -139.15 141.34 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' ASP . 16.6 pt-20 -33.69 -40.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 m-80 -62.77 -55.66 24.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 m -42.99 146.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.53 165.05 36.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.42 144.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -136.3 164.69 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.5 p -103.72 133.0 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.438 HD13 ' CB ' ' A' ' 73' ' ' LEU . 63.1 mt -113.85 146.1 34.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.01 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.36 125.66 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 9.2 ptpp? -118.58 -39.53 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 t70 -134.25 78.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 47.97 44.99 25.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -109.54 176.89 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.23 -55.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 91' ' ' LYS . 53.2 m -124.76 92.44 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.6 mt -100.6 156.99 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 32.3 p90 -158.34 132.13 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 62' ' ' LEU . 7.0 tt -120.39 153.86 35.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -114.37 128.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -108.62 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -112.32 176.43 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 12.3 m-85 -31.45 -68.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.28 -32.7 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.33 160.05 22.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 45.9 p -143.7 159.01 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 51' ' ' ILE . 23.7 m-85 -143.91 129.71 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -111.72 122.74 48.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.515 HD13 ' CE2' ' A' ' 29' ' ' PHE . 14.3 mt -130.13 152.61 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.469 ' N ' HG21 ' A' ' 83' ' ' ILE . 34.0 t -124.12 135.82 53.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.95 154.69 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.6 t -89.3 -48.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.39 147.7 28.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -55.39 -43.99 75.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -56.77 -38.73 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' CE ' ' HE1' ' A' ' 94' ' ' TRP . 14.2 mtpt -62.81 -58.47 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 70' ' ' CYS . 8.4 tmtt? -46.61 -59.69 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -55.63 -58.94 5.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -45.08 -59.73 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.572 ' CZ3' ' HE3' ' A' ' 14' ' ' MET . 43.5 m95 -46.48 -62.69 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.6 mt -49.29 -49.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -42.96 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.18 -56.46 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.7 mt -55.21 -50.77 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -50.25 -50.36 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.419 ' CG2' HD11 ' A' ' 53' ' ' LEU . 61.4 m -50.62 -48.51 57.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.4 mt -61.49 -47.22 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.4 t60 -43.17 -40.66 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.26 -37.87 72.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.48 -34.24 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 70.3 mttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.836 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 1.7 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.09 -47.99 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 19.8 tttp -123.51 155.52 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.6 137.26 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.91 165.53 34.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CD1' ' HG2' ' A' ' 26' ' ' GLU . 4.9 m-85 -82.33 102.2 11.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . 0.499 ' HE1' ' CZ3' ' A' ' 94' ' ' TRP . 46.7 mtm -110.23 154.43 23.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.452 ' CE ' ' HB3' ' A' ' 24' ' ' TRP . 74.7 mtp -102.73 115.2 30.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -99.52 127.12 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 20.0 tttm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 98.8 m95 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.84 0.352 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -134.09 136.83 44.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 32.3 tt0 -72.09 100.48 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -116.67 132.08 56.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.5 t-105 -63.44 130.49 44.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -118.31 129.8 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 84.7 t -114.73 95.02 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.47 100.63 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.534 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.5 mmtp -83.72 162.51 52.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.79 -24.81 29.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.25 25.12 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.534 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.9 tt -179.78 178.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.435 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 44.1 mt -148.22 105.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -104.51 170.44 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.28 116.46 5.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CE2' ' HE3' ' A' ' 47' ' ' LYS . 53.5 m-85 -100.8 151.11 22.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -42.31 -48.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -131.86 -174.82 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.13 33.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -34.4 11.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.6 mt 69.85 41.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -118.79 -40.48 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.72 105.73 14.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 16.0 ttmt -81.7 152.53 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -113.75 -34.79 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -177.29 165.88 36.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.04 124.32 34.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.562 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 43.1 mt -97.84 97.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.51 109.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.447 HD12 ' CG2' ' A' ' 101' ' ' THR . 25.9 mt -77.1 134.97 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.4 p-10 -156.11 147.3 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' ASP . 7.1 pt-20 -34.5 -39.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -57.09 -58.97 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 59.0 m -54.01 153.44 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.6 t -162.41 163.23 27.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.53 137.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -132.25 145.82 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -83.09 136.56 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.7 mt -102.1 153.99 37.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -169.8 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.07 110.06 21.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 9.5 ptpt -135.77 174.23 10.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 28.5 t70 36.66 37.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.84 56.34 23.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -118.92 -178.09 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -134.29 -44.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.7 m -132.45 96.41 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 65' ' ' LYS . 33.1 mt -112.0 147.98 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 7.7 p90 -148.33 131.21 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.423 ' C ' HD21 ' A' ' 73' ' ' LEU . 5.2 tt -124.49 149.95 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.3 t -105.0 128.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -103.43 115.78 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.518 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.9 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 76' ' ' CYS . 7.4 m-85 -28.49 -73.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.41 -27.71 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -83.5 149.47 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.7 p -128.14 157.27 41.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 64.7 m-85 -142.0 109.65 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -96.63 116.82 29.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.539 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.7 mt -124.22 152.63 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.2 t -124.6 132.5 53.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.0 177.85 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -92.06 -52.6 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 90' ' ' LYS . 44.6 m-20 -138.13 167.64 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -45.2 -42.06 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -51.62 -59.96 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -58.79 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -45.36 -60.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.6 tp60 -55.82 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 12.1 mm-40 -37.6 -56.28 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.499 ' CZ3' ' HE1' ' A' ' 14' ' ' MET . 35.4 m95 -52.0 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.4 mt -45.78 -53.17 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -54.9 -41.25 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.63 57.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.85 -55.32 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -47.88 -55.31 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.0 t -58.56 -42.67 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.447 ' CG2' HD12 ' A' ' 53' ' ' LEU . 34.4 m -51.94 -40.03 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 56.5 mt -73.3 -40.47 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -55.08 -39.8 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.01 -31.65 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.23 -32.94 67.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 mttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.853 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -130.24 118.83 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -132.89 109.6 9.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.94 75.94 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -120.96 124.07 44.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 m -125.33 138.13 54.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.43 -158.86 27.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG2' HG11 ' A' ' 30' ' ' VAL . 6.7 p -91.43 146.53 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.466 ' N ' HG21 ' A' ' 8' ' ' VAL . 32.8 mt -92.42 -49.07 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 11.5 tttp -128.52 155.09 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 pt20 -158.51 136.39 10.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.99 173.5 45.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -87.01 114.58 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.497 ' HE1' ' CG ' ' A' ' 29' ' ' PHE . 43.6 mtm -123.76 158.31 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 mtp -99.99 109.43 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 81' ' ' PHE . 21.8 tptt -91.36 142.61 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 30.9 tttp -90.37 112.11 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' HIS . . . -74.67 94.22 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' GLY . 7.0 t-80 -34.41 -41.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -48.97 -55.0 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -128.8 140.16 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -70.76 77.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -150.25 163.07 39.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.3 m95 -114.34 138.27 50.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 p -142.07 122.08 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -50.73 134.64 24.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 -154.21 142.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.499 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 60.7 t-105 -71.82 145.13 48.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.497 ' CG ' ' HE1' ' A' ' 14' ' ' MET . 14.1 m-85 -129.91 140.7 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 HG11 ' CG2' ' A' ' 8' ' ' VAL . 61.8 t -125.0 91.54 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -70.49 105.65 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' CB ' HG23 ' A' ' 35' ' ' ILE . 5.3 mptt -89.61 164.67 28.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 -26.39 27.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -133.7 25.16 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.533 HG23 ' CB ' ' A' ' 32' ' ' LYS . 3.4 tt -179.12 176.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.44 HG13 ' CD1' ' A' ' 53' ' ' LEU . 62.1 mt -148.28 104.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -99.6 164.61 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.547 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 7.4 p90 -145.27 116.07 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.2 m-85 -105.94 150.24 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 ' CG2' ' HZ3' ' A' ' 48' ' ' LYS . 37.0 t -44.86 -44.13 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 62.5 p -135.02 -174.96 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.499 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 12.6 pt-20 -86.27 33.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.97 -29.54 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.87 43.38 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -110.85 -42.11 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.18 88.37 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 24.2 ttpt -66.89 145.69 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.547 ' CB ' ' CE2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -106.44 -43.47 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.73 175.11 47.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.21 135.08 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.573 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 6.3 mt -102.91 95.89 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.1 mt -55.95 101.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.44 ' CD1' HG13 ' A' ' 36' ' ' ILE . 38.4 mt -71.88 146.9 47.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' CYS . 1.6 p30 -174.18 151.61 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' N ' ' CD ' ' A' ' 55' ' ' GLU . 0.5 OUTLIER -34.69 -40.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.97 -49.92 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.453 ' N ' ' O ' ' A' ' 54' ' ' ASP . 94.9 m -64.5 142.6 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.0 p -155.67 167.42 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 13.7 p -116.95 145.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -136.5 152.65 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.5 p -86.06 134.24 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.2 mt -107.65 152.42 41.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -169.49 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.74 126.56 36.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LYS . 6.8 ptpp? -144.18 167.41 22.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t0 35.53 37.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.1 45.29 96.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' LYS . 32.5 mmtm -117.29 160.21 21.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -134.8 147.24 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.31 53.53 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 HD13 ' CB ' ' A' ' 68' ' ' LYS . 3.8 mt -89.69 150.19 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 32.6 p90 -151.86 156.44 40.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 73' ' ' LEU . 3.2 tt -144.58 152.94 41.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.17 130.54 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -109.16 117.5 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.13 176.46 5.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 76' ' ' CYS . 8.6 m-85 -31.61 -69.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.64 -27.06 3.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.46 155.34 22.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.415 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 p -135.44 157.46 46.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.2 m-85 -145.42 111.75 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.82 117.15 34.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.567 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 16.1 mt -123.5 152.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 83' ' ' ILE . 43.2 t -120.16 135.3 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.35 163.57 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 t -85.29 -56.78 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -126.27 178.36 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -62.53 -36.04 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.05 -60.37 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' LYS . 5.7 mptt -58.17 -61.08 2.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' LYS . 0.2 OUTLIER -38.0 -60.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 94' ' ' TRP . 25.5 tt0 -64.9 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -37.92 -32.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.496 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 33.9 m95 -79.15 -66.7 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 52.6 mt -44.61 -42.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.69 -50.4 73.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.72 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -57.72 -48.82 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -58.04 -48.67 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 p -63.16 -43.79 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.1 m -51.21 -39.31 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 30.5 mt -72.01 -48.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.2 t60 -42.94 -44.61 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.0 -36.98 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 23.3 mt -71.03 -29.33 65.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.457 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 66.9 mttt -63.07 -41.86 99.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.38 -51.64 14.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.932 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.89 88.58 0.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -110.13 118.99 37.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.6 t -105.41 139.18 40.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -78.37 116.67 4.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.77 48.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.0 p -80.4 109.35 14.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 p -102.3 163.32 12.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -109.35 106.03 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -133.43 126.81 32.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.47 133.02 1.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -156.69 175.86 13.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.7 t -85.91 174.94 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.94 -68.3 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 7' ' ' GLY . 88.1 t -36.17 112.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.55 -60.99 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.7 tttp -126.49 156.08 41.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -158.44 124.82 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.06 176.2 42.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 18.5 m-85 -91.74 103.77 16.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.459 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 67.7 mtm -114.78 158.61 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.9 mtp -100.67 116.24 32.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -106.24 142.92 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 17.4 ttpp -91.77 123.97 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' HIS . . . -38.4 137.59 0.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 18' ' ' GLY . 8.4 m-70 -36.03 -53.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -130.81 41.03 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 19.4 mtm105 -142.5 128.75 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -82.98 52.27 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.95 87.61 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.406 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 93.3 m95 -55.75 143.5 30.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.5 p -152.12 139.52 19.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 4.6 tp10 -68.3 146.52 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.4 mtt-85 -166.33 142.68 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.522 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 53.2 t-105 -72.71 136.08 45.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.58 149.72 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG1' ' HE3' ' A' ' 32' ' ' LYS . 46.7 t -134.54 97.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.421 ' CD2' ' HB1' ' A' ' 97' ' ' ALA . 23.2 tp -73.53 94.95 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.4 mptt -77.47 164.82 55.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -28.8 24.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 34' ' ' ASN . 51.8 t-20 -131.95 25.31 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.535 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.0 tt -178.5 177.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 37.7 mt -148.09 104.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -101.46 169.94 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.505 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 30.6 p90 -152.16 117.41 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -102.49 135.29 44.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 m -48.27 -19.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 m -138.64 174.83 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.7 pt-20 -93.05 27.99 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -104.12 -21.67 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.7 mt 69.31 36.72 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -111.41 -47.46 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.14 97.72 8.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -92.76 144.6 25.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.505 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 7.0 mmtp -99.94 -39.7 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.22 -164.2 28.16 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.49 139.04 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.564 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 25.9 mt -104.4 98.73 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 42.4 mt -57.06 105.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.9 mt -71.98 134.11 45.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -157.49 150.84 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -38.1 -35.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.634 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 30.1 m-80 -63.09 -57.04 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 88.6 m -54.08 147.51 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 28.2 p -157.56 167.37 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 60' ' ' GLU . 7.3 p -120.79 138.57 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 59' ' ' VAL . 10.1 pt-20 -133.85 137.82 45.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.9 p -82.68 127.82 33.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.7 mt -108.6 143.26 27.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.92 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.75 125.05 29.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -54.76 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 13.6 t70 -121.7 59.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.68 37.25 94.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 69' ' ' LYS . 24.2 mmtt -110.6 169.99 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 68' ' ' LYS . 8.1 mptt -142.36 141.33 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m 58.09 48.84 12.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.4 mt -81.19 149.05 29.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.57 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 27.2 p90 -152.12 130.08 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 74' ' ' VAL . 6.6 tt -119.94 144.99 47.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.419 ' C ' HD23 ' A' ' 73' ' ' LEU . 99.6 t -104.5 128.57 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -106.45 122.65 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.11 176.37 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.634 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 8.4 m-85 -32.79 -70.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.76 -25.67 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -86.83 160.07 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.79 149.35 36.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 11.5 m-85 -136.47 117.35 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.82 119.89 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.57 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.1 mt -123.91 159.92 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.458 ' N ' HG21 ' A' ' 83' ' ' ILE . 1.6 p -130.39 126.75 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.69 172.84 10.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -99.73 -54.0 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.66 156.9 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -45.69 -39.79 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.92 -58.55 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -53.49 -61.13 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -66.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 30.6 tt0 -51.04 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 6.0 mm-40 -37.85 -46.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.513 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.5 m95 -64.65 -64.33 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.5 mt -46.1 -54.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -54.14 -51.31 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 31' ' ' LEU . . . -56.51 -45.11 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.22 -54.57 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.18 -58.83 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.3 t -52.79 -51.53 60.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.6 m -46.46 -39.75 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 64.1 mt -74.96 -44.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.7 t60 -49.91 -40.28 42.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.8 mt -59.27 -30.33 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.3 mt -84.18 -22.12 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -66.52 -40.54 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.15 -42.76 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.93 -58.22 10.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.5 p -49.89 124.44 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 92.9 p -107.16 155.71 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.7 -95.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' SER . 54.3 Cg_endo -69.72 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' PRO . 88.6 p -34.66 144.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' SER . 14.6 m -37.94 130.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -107.18 144.03 34.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -56.9 91.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.34 75.43 1.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m -93.12 175.92 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -96.04 88.05 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 131.7 -179.41 17.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 7' ' ' GLY . 2.1 p -33.2 128.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.6 mt -86.46 -55.03 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HE2' ' CD1' ' A' ' 94' ' ' TRP . 28.5 tttp -118.24 156.53 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -158.56 136.15 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.451 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 178.88 163.67 30.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' CD1' ' HE3' ' A' ' 28' ' ' TRP . 10.5 m-85 -77.33 106.46 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.567 ' HE3' ' CH2' ' A' ' 94' ' ' TRP . 56.8 mtm -118.92 150.95 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.411 ' HE1' ' C ' ' A' ' 24' ' ' TRP . 55.7 mtp -104.2 124.36 48.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -111.98 139.29 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.55 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 20.4 ttpp -83.23 115.02 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.15 -160.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -109.66 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -45.31 -56.68 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 2.5 tpm_? -140.34 163.81 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -75.67 53.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -94.89 122.29 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 91.3 m95 -95.22 126.24 40.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.1 p -129.13 134.79 48.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.05 101.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.558 ' CZ ' ' N ' ' A' ' 40' ' ' VAL . 9.5 tpt180 -117.76 135.99 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 48.5 t-105 -68.48 126.5 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -111.87 147.2 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.447 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 61.3 t -129.66 95.46 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.2 tp -71.53 96.29 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.545 ' CB ' HG21 ' A' ' 35' ' ' ILE . 39.9 mmtt -78.28 162.94 64.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.76 -25.91 28.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -135.04 26.38 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.545 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.3 tt -179.69 -179.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.439 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 49.4 mt -148.42 105.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.5 m -116.94 149.42 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.806 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -126.21 137.3 53.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.425 ' CE1' ' HB2' ' A' ' 47' ' ' LYS . 86.9 m-85 -111.61 148.55 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.558 ' N ' ' CZ ' ' A' ' 27' ' ' ARG . 92.6 t -42.31 -38.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -143.72 -175.24 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.571 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.19 32.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.61 -29.26 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt 68.77 44.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -114.38 107.09 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ttmp? -97.47 155.46 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 24.8 mmtt -105.15 -35.14 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.11 -171.98 44.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.5 145.31 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 77.9 mt -112.79 88.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.5 mt -51.17 109.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.439 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 37.8 mt -77.36 146.29 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 55' ' ' GLU . 28.5 m-20 -164.94 149.28 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 7.9 pt-20 -33.81 -37.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 m-80 -61.85 -55.21 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 90.3 m -54.84 145.39 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.5 t -159.36 164.68 34.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.7 143.79 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -135.47 159.76 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -96.13 126.2 41.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 43.9 mt -97.28 146.22 30.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.653 0.739 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.6 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.5 119.87 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -146.5 164.58 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LYS . 14.7 t0 35.8 42.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.75 46.79 66.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -122.99 179.54 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -150.49 167.9 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 69' ' ' LYS . 59.4 m 34.96 50.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.2 mt -85.56 152.03 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.555 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 30.0 p90 -152.11 130.01 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.437 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 6.5 tt -118.66 144.35 46.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.4 t -106.35 128.56 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -105.23 127.13 52.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -118.42 176.43 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.3 m-85 -32.07 -72.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.84 -27.84 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.0 155.24 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.3 p -136.58 152.75 50.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 47.1 m-85 -141.54 125.42 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.84 109.91 20.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.555 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.2 mt -113.0 154.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.1 t -119.15 130.22 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.14 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.6 t -75.96 -58.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -124.85 155.29 39.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -42.95 -36.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -59.78 -53.23 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -56.62 -60.84 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -36.52 -59.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' TRP . 6.1 tp60 -62.09 -72.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' GLN . 7.3 mm-40 -37.37 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.567 ' CH2' ' HE3' ' A' ' 14' ' ' MET . 36.7 m95 -80.53 -57.18 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 22.1 mt -57.06 -49.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -59.03 -46.37 88.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.43 -52.7 64.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.9 mt -59.89 -49.74 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -47.75 -55.34 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.3 t -61.4 -51.02 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -44.39 -38.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 71.2 mt -74.04 -47.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.5 t60 -47.85 -40.12 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -57.63 -31.25 66.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.05 -29.53 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.454 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 99.4 mttt -61.23 -38.89 88.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.56 -45.48 57.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.52 89.61 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 p -81.57 46.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.824 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 m -51.25 -56.94 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.31 137.09 28.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 128.79 16.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 0.0 112.379 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.3 t -85.4 126.91 34.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.8 p -71.97 110.93 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -161.51 152.25 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 p -105.85 133.78 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.95 -46.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -85.05 156.57 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -48.46 128.45 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 154.03 123.16 0.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.6 p -33.65 127.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.69 -47.03 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.5 tttm -127.89 154.03 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -158.08 130.29 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.522 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -176.77 166.78 37.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.465 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 11.1 m-85 -81.09 115.92 20.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 68.1 mtm -127.38 150.83 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 mtp -92.14 111.92 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.27 135.21 44.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.3 tttm -91.32 98.1 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.42 141.98 47.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -39.02 -62.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -93.25 160.25 14.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.5 tpt180 67.0 53.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -34.17 105.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -171.44 175.82 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.435 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.2 m95 -122.58 129.79 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.8 p -134.02 132.66 40.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 46.4 tt0 -69.62 96.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.411 ' NH1' ' HD2' ' A' ' 48' ' ' LYS . 8.0 tpp180 -113.77 137.62 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.522 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.7 t-105 -68.07 139.89 56.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 15.8 m-85 -129.04 125.22 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 93.7 t -109.13 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 36' ' ' ILE . 52.4 tp -70.31 119.07 13.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.543 ' CB ' HG23 ' A' ' 35' ' ' ILE . 20.6 mmtt -103.0 162.78 19.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.508 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.2 Cg_endo -69.79 -25.77 28.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -133.94 25.59 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.543 HG23 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.59 178.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.446 HG12 ' CD1' ' A' ' 31' ' ' LEU . 37.1 mt -148.18 105.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.6 167.79 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.573 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 13.3 p90 -150.4 116.26 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.76 168.5 9.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.34 -55.73 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 p -123.29 -175.2 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.439 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 16.4 pt-20 -84.69 30.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.411 ' CG ' ' HG3' ' A' ' 45' ' ' LYS . 19.7 t0 -105.11 -27.53 11.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.5 mt 66.46 39.91 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HG3' ' CG ' ' A' ' 43' ' ' ASP . 17.9 mtpp -100.85 -39.81 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -117.55 113.08 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -86.48 144.99 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HD2' ' NH1' ' A' ' 27' ' ' ARG . 8.6 mmpt? -102.89 -42.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.54 -153.77 9.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -159.7 146.95 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.564 HD11 ' CD2' ' A' ' 81' ' ' PHE . 37.4 mt -117.05 93.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 25.2 mt -54.46 113.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 36.2 mt -81.68 141.67 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 55' ' ' GLU . 8.0 m-20 -161.88 150.2 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.475 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 11.5 pt-20 -33.02 -42.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.555 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 5.5 m-80 -58.93 -55.63 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -51.89 140.92 18.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 29.9 p -156.18 168.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.421 HG21 ' N ' ' A' ' 60' ' ' GLU . 8.8 p -123.57 140.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.421 ' N ' HG21 ' A' ' 59' ' ' VAL . 17.2 pt-20 -124.54 161.36 26.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 p -100.81 103.45 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -76.57 147.45 78.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -87.12 121.93 30.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -146.7 160.36 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.19 42.46 6.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.72 35.48 91.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -103.82 172.71 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.65 -38.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.0 m -131.92 96.27 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.419 ' CD2' ' HB2' ' A' ' 84' ' ' SER . 26.3 mt -114.04 164.01 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.7 p90 -168.41 130.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 73' ' ' LEU . 4.8 tt -119.91 152.79 36.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.8 t -111.95 128.63 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -106.0 115.38 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -109.6 176.66 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' CE1' ' HB2' ' A' ' 56' ' ' ASN . 8.7 m-85 -30.66 -71.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.68 -27.73 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -82.42 162.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.462 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 18.7 p -141.5 158.38 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD2' HD11 ' A' ' 51' ' ' ILE . 49.5 m-85 -150.67 113.99 4.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -102.32 126.83 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 10.3 mt -132.31 150.88 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.419 ' HB2' ' CD2' ' A' ' 71' ' ' LEU . 31.2 t -115.22 150.2 36.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.61 158.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.2 t -86.09 -62.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -113.99 145.15 41.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -41.21 -41.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -50.13 -56.13 12.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -58.03 -50.47 73.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -49.66 -52.4 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -50.74 -60.63 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.512 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 33.8 m95 -48.63 -60.62 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.9 mt -49.44 -48.61 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -57.7 -43.46 85.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.66 -50.96 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 21.1 mt -58.93 -56.48 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -45.09 -51.27 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -59.09 -46.93 87.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.413 HG21 ' CD1' ' A' ' 53' ' ' LEU . 58.8 m -48.44 -44.43 35.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 23.4 mt -68.85 -37.89 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.502 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 10.0 t60 -49.28 -45.38 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.14 -32.1 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.418 HD13 ' C ' ' A' ' 53' ' ' LEU . 47.0 mt -72.94 -33.76 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.502 ' CD ' ' HA ' ' A' ' 103' ' ' HIS . 3.2 mtpm? -65.39 -44.12 88.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD21 ' CD2' ' A' ' 103' ' ' HIS . 3.6 mm? -44.61 -51.99 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' SER . . . -69.99 -97.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' GLY . 42.2 t -34.81 110.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.825 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.2 p -51.55 135.78 27.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -120.78 69.67 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -179.48 2.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.636 2.224 . . . . 0.0 112.323 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.2 m -49.06 134.35 17.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.5 p -116.87 42.11 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.9 t 36.88 42.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -118.73 -46.04 2.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.25 133.3 7.41 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -81.55 148.19 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -55.67 -52.21 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -97.34 -104.18 2.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 1.4 p -33.78 126.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.23 -48.98 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -127.6 153.45 46.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -158.6 133.21 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.75 159.98 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD1' ' OE2' ' A' ' 26' ' ' GLU . 5.8 m-85 -71.05 120.89 17.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.2 mtm -127.61 147.37 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.4 mtp -92.35 111.14 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -102.48 133.5 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -71.97 115.38 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.78 131.57 3.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -42.25 -50.49 4.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -44.09 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -75.08 168.45 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 3.6 mppt? -106.09 -55.78 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' LYS . 63.3 m-80 -34.18 109.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -59.19 153.02 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.5 p -142.4 131.82 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' OE2' ' CD1' ' A' ' 13' ' ' TYR . 31.6 tt0 -64.63 129.76 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -145.81 141.34 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.516 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.2 t-105 -75.25 137.22 41.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 14.9 m-85 -124.28 143.89 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 93.2 t -125.63 98.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.3 tp -74.84 103.5 5.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.7 mmtt -86.59 162.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.515 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.6 Cg_endo -69.68 -26.02 28.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -134.97 26.8 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.547 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.99 179.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 36.3 mt -148.78 105.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 m -115.81 141.65 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 1.6 p90 -123.32 130.27 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.561 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 45.2 m-85 -100.82 144.63 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' HB ' ' CE ' ' A' ' 48' ' ' LYS . 7.9 p -52.82 -25.23 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 p -135.69 170.59 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.8 pt-20 -85.78 28.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -106.45 -26.84 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.561 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.0 mt 74.09 38.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -107.88 -42.71 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.26 81.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 8.0 ttpm? -60.12 133.74 56.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.452 ' CE ' ' HB ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -81.39 -39.8 24.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . 177.82 -178.93 48.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.8 m-20 -132.13 153.14 50.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 55.7 mt -127.86 96.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 33.6 mt -56.41 105.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD13 ' CG2' ' A' ' 101' ' ' THR . 31.6 mt -69.28 139.61 54.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 64.5 m-20 -161.54 143.93 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -34.59 -38.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -59.63 -54.17 49.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 85.3 m -61.16 145.58 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 3.8 m -159.72 160.99 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.2 p -108.4 148.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -137.9 174.63 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.0 t -112.54 128.21 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 94.1 mt -100.98 147.98 34.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 -165.36 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.42 105.76 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -112.38 143.21 43.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 39.97 34.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 71.26 1.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -125.72 177.93 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.79 -41.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 91.5 m -130.87 96.06 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.2 mt -114.8 162.56 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.561 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 18.4 p90 -171.25 132.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' C ' HD21 ' A' ' 73' ' ' LEU . 5.4 tt -124.15 155.37 38.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.8 t -117.01 128.45 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.23 135.52 39.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -130.62 176.6 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.6 m-85 -30.1 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -124.35 -23.71 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -87.31 154.37 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.7 p -134.14 139.91 46.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 41.5 m-85 -122.93 117.14 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -103.91 124.9 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.561 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.6 mt -132.7 154.58 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 83' ' ' ILE . 47.6 t -128.32 132.1 48.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.07 162.83 13.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -94.36 -55.19 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.52 152.75 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.53 -44.66 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -51.07 -49.46 60.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -63.18 -54.99 28.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.08 -64.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 31.2 tt0 -57.53 -65.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 20.1 mm-40 -37.29 -45.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -63.75 -59.24 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 14.9 mt -50.81 -45.99 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.48 -49.68 72.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.53 75.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.31 -51.98 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -43.96 -59.82 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.7 m -56.16 -46.0 79.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.409 ' CG2' HD13 ' A' ' 53' ' ' LEU . 87.6 m -46.6 -42.97 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.416 HG21 ' NZ ' ' A' ' 106' ' ' LYS . 33.6 mt -71.54 -40.42 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -48.6 -42.8 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.6 mt -55.77 -35.48 66.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.36 -37.32 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.416 ' NZ ' HG21 ' A' ' 102' ' ' ILE . 34.2 mttp -54.09 -43.81 70.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.33 -52.19 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.67 110.9 3.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.9 m -160.07 132.49 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.2 t -121.97 129.42 52.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -120.49 -83.05 0.74 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 131.36 21.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 m -47.17 121.38 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.4 t -49.09 -41.48 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -73.55 -45.72 51.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -98.69 171.06 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.56 -44.07 1.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -80.35 169.49 17.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -118.69 90.24 3.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.69 -116.58 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.481 HG22 ' CG1' ' A' ' 30' ' ' VAL . 2.4 p -53.79 128.84 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 111.083 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.52 -45.36 12.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.2 tttp -129.16 155.52 45.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.428 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.6 pt20 -157.44 132.1 8.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.27 168.39 41.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 5.2 m-85 -86.04 110.13 19.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.565 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 69.7 mtm -121.55 157.99 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.2 mtp -104.91 111.85 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -97.24 129.25 44.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 23.4 tttp -70.19 110.73 5.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.69 -131.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -127.49 -45.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -54.78 178.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -44.39 162.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -34.49 119.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -174.44 117.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 97.1 m95 -103.83 147.6 27.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.0 p -138.9 128.25 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 13' ' ' TYR . 27.0 tt0 -72.09 105.96 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -122.83 132.26 54.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.457 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 54.6 t-105 -61.57 134.4 56.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 16.1 m-85 -119.04 134.31 55.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' CG1' HG22 ' A' ' 8' ' ' VAL . 87.1 t -118.22 95.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.67 106.67 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' CB ' HG23 ' A' ' 35' ' ' ILE . 18.1 mmtp -90.51 163.5 30.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.565 0.698 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.505 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.73 -26.38 27.8 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.746 2.298 . . . . 0.0 112.357 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -135.03 27.2 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.534 HG23 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.76 179.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.431 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 50.2 mt -149.32 104.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 m -114.58 137.7 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.569 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 19.4 p90 -120.76 124.33 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.8 m-85 -100.07 161.36 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.73 -43.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -138.27 -175.27 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.71 35.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -103.05 -31.2 10.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.77 45.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -119.31 -42.68 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.77 92.14 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 21.0 ttmt -70.0 155.34 40.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -113.25 -37.0 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.77 -175.47 45.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.41 139.44 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.562 HD13 ' CD2' ' A' ' 81' ' ' PHE . 64.9 mt -113.08 89.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.88 111.25 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 101' ' ' THR . 58.3 mt -75.75 128.69 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 5.8 m-20 -144.14 143.49 31.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ASP . 13.8 pt-20 -34.58 -36.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.4 m-80 -61.95 -54.96 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.0 m -51.79 152.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 30.8 p -161.89 165.21 27.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.4 p -121.3 144.99 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -132.45 165.61 23.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.4 t -107.16 117.54 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 61.0 mt -101.64 141.31 22.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.87 123.72 32.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' CG ' ' N ' ' A' ' 66' ' ' ASP . 10.4 ptpt -120.62 -52.52 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 65' ' ' LYS . 7.8 m-20 -106.34 73.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.69 48.04 1.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -125.55 -179.05 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.15 144.18 25.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m 61.16 54.79 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.65 143.98 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.56 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 28.7 p90 -150.21 130.98 14.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.7 tt -119.68 152.73 36.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.4 t -111.86 128.4 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -105.43 122.7 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -116.79 176.53 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.4 m-85 -29.84 -70.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.17 -27.67 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -85.97 159.0 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 p -138.9 153.91 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CD2' HD13 ' A' ' 51' ' ' ILE . 29.1 m-85 -140.5 114.96 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -101.42 122.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.56 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.7 mt -129.41 141.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -108.69 128.96 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.39 159.0 20.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.5 p -84.07 -49.87 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -133.85 166.33 22.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -41.95 63.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -51.15 -59.93 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.9 mptm? -59.39 -61.4 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 4.1 tmtt? -34.93 -55.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' TRP . 4.2 tp60 -69.32 -65.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -40.58 -26.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.565 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 32.6 m95 -80.42 -58.28 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.5 mt -55.08 -43.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -62.88 -39.92 95.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.12 -50.91 51.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.2 mt -60.21 -54.79 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.87 -54.67 11.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.5 m -57.92 -45.92 85.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.464 HG23 ' CD1' ' A' ' 53' ' ' LEU . 72.3 m -50.21 -41.7 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.7 mt -71.77 -44.31 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -47.44 -40.07 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.25 -30.81 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.4 mt -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -61.38 -45.69 93.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -43.04 -47.71 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -178.7 -108.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m 53.84 41.84 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -138.22 165.26 27.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -123.37 -169.77 13.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 87.74 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.8 t -113.94 42.3 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.0 p -166.41 125.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.448 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -53.89 156.14 3.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -101.42 -46.8 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.63 -150.84 21.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -83.72 79.41 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -109.81 149.28 30.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.18 -90.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -38.6 102.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.17 -54.09 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.3 tttp -129.25 157.88 40.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.565 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.1 pt20 -158.31 124.87 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.94 159.3 32.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -81.83 108.24 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.933 0.396 . . . . 0.0 110.958 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 40.7 mtm -118.68 157.85 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.474 ' HE1' ' CB ' ' A' ' 24' ' ' TRP . 15.6 mtp -103.38 112.9 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 30.7 tttm -95.01 146.45 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' GLY . 26.8 tttt -90.62 114.0 26.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.56 141.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -68.86 -46.8 67.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.01 -46.83 10.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -105.74 158.71 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -92.36 46.91 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -102.32 138.66 38.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.474 ' CB ' ' HE1' ' A' ' 15' ' ' MET . 94.4 m95 -98.55 141.16 31.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.0 p -150.69 135.77 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.12 128.5 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -146.26 129.54 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 55.2 t-105 -64.77 115.18 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -98.32 137.66 36.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -120.37 100.57 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.3 tp -76.59 94.92 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' CB ' HG22 ' A' ' 35' ' ' ILE . 17.2 mmtp -77.08 162.98 67.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.727 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.514 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.7 Cg_endo -69.73 -26.02 28.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -134.94 26.92 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.5 tt 179.87 179.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.423 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 40.2 mt -148.84 105.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.8 m -118.25 146.73 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -118.64 129.6 55.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -106.02 153.12 22.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t -42.48 -57.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 m -126.21 -174.76 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 10.7 pt-20 -83.49 35.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -104.94 -31.58 9.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.9 mt 69.39 39.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -106.53 -41.43 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -116.45 112.5 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -82.46 154.88 24.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -112.97 -41.63 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.88 -166.94 25.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -155.31 139.18 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.562 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 53.8 mt -116.97 96.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.7 mt -54.74 113.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 51.0 mt -78.42 140.75 38.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' GLU . 66.0 m-20 -161.32 148.43 14.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 3.8 pt-20 -37.38 -33.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 3.4 m-80 -63.62 -57.63 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 96.9 m -50.03 143.04 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 12.1 p -155.23 173.38 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.2 p -121.56 150.75 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -141.86 142.6 33.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.2 p -81.34 120.64 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 36.3 mt -98.52 149.36 35.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.93 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 179.92 3.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.69 123.91 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' HD3' ' CD1' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -142.25 151.87 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t0 57.18 45.48 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.03 57.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -121.25 -177.19 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -164.01 149.26 10.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 m 55.46 51.6 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 65' ' ' LYS . 3.9 mt -88.39 156.71 19.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.548 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -164.31 136.62 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 tt -123.38 151.5 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.5 t -112.2 128.62 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -105.4 123.88 48.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.478 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.27 176.64 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.35 -71.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -125.36 -27.14 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -85.65 157.49 20.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 38.1 p -135.01 155.68 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 31.3 m-85 -146.94 108.61 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 70.3 tt0 -99.82 129.7 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.548 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.5 mt -131.2 157.65 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.6 p -130.19 119.97 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -78.43 -179.0 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -112.73 -47.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.35 147.61 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -43.9 -40.73 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -53.77 -59.71 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -56.35 -61.68 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 5.0 tmtt? -37.89 -62.24 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -62.37 -65.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' C ' ' HE2' ' A' ' 10' ' ' LYS . 6.7 mm-40 -37.8 -33.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.519 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 32.4 m95 -77.68 -58.28 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.466 HD12 ' CB ' ' A' ' 72' ' ' PHE . 21.8 mt -52.12 -47.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -58.14 -52.89 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.32 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.0 mt -50.52 -47.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -55.4 -46.73 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 m -65.63 -46.1 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.3 m -50.79 -45.14 59.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 60.7 mt -66.17 -43.94 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -49.01 -40.26 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.9 mt -58.45 -31.73 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.09 -27.89 48.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -62.11 -41.03 97.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.06 -51.68 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 109' ' ' SER . . . -39.22 -76.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' GLY . 64.9 p -35.39 119.9 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.6 m -72.7 97.09 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.52 122.44 0.87 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 86.87 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.6 t -120.93 92.59 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.2 p -58.76 -30.66 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.507 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -130.34 103.48 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.85 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -45.56 -21.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.72 110.19 3.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -41.36 -54.72 2.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -51.83 175.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 156.32 -76.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.461 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 1.5 p -33.48 127.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mt -78.57 -53.63 7.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -127.36 156.45 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.7 132.11 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.66 179.66 40.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 10.7 m-85 -104.01 105.39 15.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.553 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 3.2 mpp? -115.23 168.32 10.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.453 ' HE2' ' CB ' ' A' ' 24' ' ' TRP . 49.2 mtp -107.53 110.94 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -98.02 129.96 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.524 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 19.3 tttm -68.27 104.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.01 -73.51 1.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -62.13 142.79 57.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.806 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -63.37 -39.64 95.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -62.62 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -174.52 129.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -174.99 155.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 96.9 m95 -155.59 120.21 4.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -129.68 137.23 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 36.7 tt0 -74.0 99.63 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.452 ' NH1' ' HB2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -112.81 145.49 40.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 46.7 t-105 -77.17 127.89 33.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.515 ' CG ' ' HE3' ' A' ' 14' ' ' MET . 16.3 m-85 -113.13 147.3 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 98.7 t -130.94 99.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.3 tp -75.75 90.45 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.544 ' CB ' HG21 ' A' ' 35' ' ' ILE . 42.7 mmtt -72.24 163.03 70.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.8 Cg_endo -69.74 -25.77 28.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.94 26.47 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.544 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.98 178.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 HG13 ' CD1' ' A' ' 53' ' ' LEU . 56.3 mt -149.1 104.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -116.48 158.95 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.431 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 8.7 p90 -131.74 129.51 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.496 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 88.4 m-85 -104.78 158.33 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 85.2 t -54.49 -45.42 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.4 p -126.87 179.51 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.541 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 17.3 pt-20 -84.05 34.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -107.39 -31.29 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.436 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 16.1 mt 72.39 42.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -109.04 -42.11 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -115.04 98.32 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 25.2 ttpp -77.25 153.24 34.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.4 mmmt -108.64 -42.0 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -166.05 171.79 41.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -132.79 138.14 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 81' ' ' PHE . 20.6 mt -111.46 93.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.7 mt -50.26 108.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' CD1' HG13 ' A' ' 36' ' ' ILE . 14.3 mt -77.81 135.27 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 55' ' ' GLU . 41.3 t0 -169.42 157.22 7.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 54' ' ' ASP . 13.7 pt-20 -33.39 -52.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.604 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -48.63 -53.4 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 m -62.09 131.96 51.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 32.1 p -151.7 153.34 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.61 146.08 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.82 135.4 29.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 m -68.99 143.01 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.453 HD11 ' CB ' ' A' ' 73' ' ' LEU . 65.7 mt -117.4 156.06 49.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.72 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 119.21 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.12 150.19 43.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 22.7 t70 60.94 42.75 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.36 52.8 42.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' CB ' HD12 ' A' ' 71' ' ' LEU . 29.3 mmtm -127.35 173.5 9.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -149.94 153.79 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.3 m 52.84 54.6 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 68' ' ' LYS . 3.1 mt -90.32 151.86 21.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.488 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 29.4 p90 -156.83 142.68 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.453 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.9 tt -131.05 155.09 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.74 130.75 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -108.76 124.0 49.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 77' ' ' PHE . 14.4 m -119.34 176.69 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.604 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 5.6 m-85 -30.21 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -122.52 -29.78 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -82.29 155.29 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 p -140.12 148.32 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 51' ' ' ILE . 15.7 m-85 -135.9 124.49 23.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -108.52 124.97 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.488 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.5 mt -130.9 148.37 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 83' ' ' ILE . 32.0 t -117.54 133.36 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.43 175.1 6.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.1 t -100.79 -56.97 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.72 155.44 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -44.73 -38.0 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -52.94 -60.25 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -59.9 -54.67 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -45.98 -61.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -57.73 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.0 mm-40 -37.9 -52.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.553 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 37.4 m95 -57.74 -62.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.4 mt -46.85 -55.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.35 -39.47 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.16 -57.62 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.24 -54.37 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.15 -56.3 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -55.24 -48.24 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.1 m -50.35 -40.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.98 -50.2 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.473 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.5 t60 -42.17 -49.34 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.1 mt -49.16 -37.46 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 mt -73.34 -33.6 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.46 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 68.5 mttt -57.96 -38.91 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -47.54 -48.71 27.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.91 166.82 42.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -50.08 122.5 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.0 t -149.96 113.08 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.73 83.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.08 39.58 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 m -90.38 108.71 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 p -172.99 118.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -120.16 176.39 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -108.84 166.38 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.1 119.19 2.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p -151.82 175.79 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -116.95 139.85 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 133.81 -134.57 7.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.442 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 1.7 p -34.04 124.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.31 -48.98 9.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 33.3 tttm -125.44 155.78 39.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -158.44 134.21 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.424 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 178.86 154.26 12.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD1' ' CD ' ' A' ' 26' ' ' GLU . 12.8 m-85 -69.12 101.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.546 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 60.9 mtm -110.53 146.28 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.406 ' HE1' ' CB ' ' A' ' 24' ' ' TRP . 67.1 mtp -93.03 111.84 23.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' LYS . 12.8 tttm -99.34 120.15 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.557 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 8.3 tptp -33.94 132.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.78 143.6 42.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.557 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.48 105.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 61.68 38.08 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -144.8 147.44 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -87.24 42.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -134.75 173.63 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.557 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 70.1 m95 -129.63 158.8 38.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -153.83 133.9 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.34 144.75 55.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -162.95 137.84 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.514 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 34.7 t-105 -66.13 122.84 18.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -114.16 120.17 39.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 94.7 t -104.68 102.11 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.2 tp -81.15 99.89 8.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 31.8 mmtt -81.51 163.22 55.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.2 Cg_endo -69.71 -23.88 30.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.379 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -134.74 23.41 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.515 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -178.93 178.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.443 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 84.8 mt -148.51 104.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.6 m -114.64 141.55 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.461 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -120.53 125.55 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 64.1 m-85 -103.43 122.37 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -32.95 -34.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 61.8 p -118.52 171.91 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 11.9 pt-20 -96.58 30.65 2.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -113.87 -7.34 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt 63.0 34.61 13.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -99.75 -45.23 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 3.4 m-20 -107.88 119.27 38.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -102.84 146.67 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 2.8 mmmp? -104.23 -45.04 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . -174.67 -177.61 43.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 2.5 m-20 -136.95 130.03 30.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 26.1 mt -96.62 95.68 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -56.73 104.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 71.4 mt -71.11 139.01 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' GLU . 36.4 t70 -158.0 150.02 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.0 pt-20 -33.65 -45.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -55.22 -55.22 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 58.5 m -52.04 140.9 19.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.03 169.65 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 60' ' ' GLU . 11.3 p -119.58 140.5 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' N ' HG23 ' A' ' 59' ' ' VAL . 8.4 pt-20 -132.96 134.81 45.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.8 m -78.42 135.34 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.0 mt -109.75 149.52 40.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -172.03 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.242 . . . . 0.0 112.325 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -85.09 121.39 27.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -138.12 147.6 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 52.32 37.79 23.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.52 44.35 90.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -114.55 172.47 7.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -156.91 145.16 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m 57.66 45.38 19.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 mt -85.73 160.54 19.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.503 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 36.1 p90 -162.05 133.65 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.423 HD22 ' C ' ' A' ' 73' ' ' LEU . 5.0 tt -122.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -105.06 128.46 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -108.97 132.77 53.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.55 176.65 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.69 -71.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -123.9 -28.98 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HE3' ' N ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.78 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 14.6 p -134.17 152.84 52.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 39.5 m-85 -144.44 122.29 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -106.99 122.06 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.503 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 15.3 mt -126.48 147.99 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.538 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 47.7 t -115.4 129.01 56.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.26 155.06 21.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' OD2' ' CB ' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -128.49 153.33 47.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -43.05 -39.99 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 51.5 tttm -54.53 -59.0 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -58.86 -52.29 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.52 -55.89 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.7 tp-100 -64.57 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' GLN . 16.5 mt-10 -36.99 -45.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.546 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 39.1 m95 -62.14 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.5 mt -48.52 -51.88 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -55.42 -45.66 76.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.7 -55.76 29.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.2 mt -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -50.01 -52.25 35.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 t -59.91 -50.3 74.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 33' ' ' PRO . 33.6 m -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.8 mt -75.77 -46.96 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.9 t60 -46.11 -42.73 14.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.89 -33.23 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.5 mt -76.01 -34.84 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -56.52 -39.6 73.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -44.07 -50.34 8.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.13 40.44 3.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.4 t -97.24 167.34 11.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m 59.95 41.68 17.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.08 -147.83 4.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 158.44 56.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 m -69.27 102.32 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.5 t -55.77 162.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -112.75 41.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -142.84 137.19 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.86 46.26 0.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -146.22 139.74 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -117.15 112.14 20.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 127.71 -170.6 19.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.473 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 2.1 p -34.73 125.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 111.09 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.03 -50.14 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.0 tttp -121.35 156.74 31.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -158.61 131.51 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.532 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 177.84 161.54 26.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.466 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 3.9 m-85 -76.78 121.09 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.8 mtm -129.89 148.98 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.3 mtp -94.86 121.36 36.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -108.66 133.48 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -67.24 120.66 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.4 166.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' ARG . 5.5 p80 -49.76 107.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' HIS . 27.6 mmm-85 36.03 42.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.03 137.14 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -68.3 78.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -135.0 61.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 77.6 m95 -61.86 129.95 43.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 p -142.04 137.59 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 19.5 tt0 -66.73 118.23 9.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -139.32 130.56 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.532 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 29.8 t-105 -59.22 140.04 56.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.3 m-85 -128.29 133.84 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 92.0 t -116.09 92.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.07 92.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' CB ' HG22 ' A' ' 35' ' ' ILE . 21.2 mmtt -76.96 162.9 68.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.506 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.77 -26.37 27.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -135.01 27.26 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.553 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.5 tt -179.97 179.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.451 HG13 ' CD1' ' A' ' 53' ' ' LEU . 48.9 mt -149.07 105.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.6 p -114.51 140.83 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.407 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 7.2 p90 -121.87 129.8 52.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' SER . 49.9 m-85 -106.73 126.58 52.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -36.23 -29.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 21.8 p -129.08 167.22 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.503 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 22.5 pt-20 -88.68 33.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.86 -19.54 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.5 mt 66.2 40.21 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -122.64 -38.64 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 7.3 t0 -104.09 102.42 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -93.32 145.24 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -104.82 -42.35 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.84 -169.81 29.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -147.95 141.02 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.567 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 28.0 mt -114.01 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 mt -53.43 108.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.451 ' CD1' HG13 ' A' ' 36' ' ' ILE . 36.7 mt -77.91 131.17 37.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 11.9 m-20 -156.11 154.57 31.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.2 pt-20 -33.83 -46.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -52.27 -53.95 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.7 m -57.74 149.08 22.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.1 p -162.13 163.83 28.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 p -111.6 143.98 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -128.37 167.48 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -106.26 106.64 17.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 63.3 mt -75.89 154.67 84.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.613 0.721 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.16 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.65 103.34 15.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 154.09 44.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD2' ' NE1' ' A' ' 24' ' ' TRP . 26.9 t0 67.51 40.72 2.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.19 68.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -124.58 171.78 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -134.03 -45.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.9 87.89 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.406 HD22 ' CH2' ' A' ' 24' ' ' TRP . 22.8 mt -109.52 152.04 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.421 ' CE2' ' HB ' ' A' ' 83' ' ' ILE . 43.1 p90 -159.35 133.75 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 4.5 tt -122.34 148.72 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -108.38 128.17 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 21.2 mtpt -104.12 126.28 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -120.29 176.65 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.9 m-85 -29.82 -72.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -125.03 -26.87 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -83.68 150.29 25.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.7 p -132.93 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 38.9 m-85 -139.58 120.95 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -105.24 117.47 34.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 84' ' ' SER . 15.7 mt -120.77 154.36 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 45.4 t -124.61 129.68 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.33 140.36 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 t -72.86 -58.04 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 155.62 26.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -49.17 -42.51 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -47.99 -60.31 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -56.11 -53.6 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.78 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' GLU . 16.9 tt0 -54.75 -67.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' GLN . 35.2 mm-40 -37.28 -57.71 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.517 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 39.6 m95 -51.84 -67.86 0.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 7.2 mt -43.58 -55.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -53.62 -46.31 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.41 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.3 mt -55.88 -55.21 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -48.56 -54.98 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.6 m -58.43 -49.74 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.6 m -46.55 -43.64 17.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.9 mt -67.63 -43.95 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -45.38 -44.68 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.9 mt -54.49 -36.15 63.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 mt -76.74 -29.15 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -60.94 -39.43 89.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -49.86 -47.21 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.2 89.4 1.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.1 p -116.26 142.02 47.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.3 t -76.04 127.11 32.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 178.41 84.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' SER . 53.9 Cg_endo -69.74 -173.92 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.733 2.289 . . . . 0.0 112.321 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' PRO . 54.9 p 37.75 42.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 p -76.41 177.61 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -135.3 122.31 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 m -97.87 -58.18 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.38 100.92 2.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -76.18 -63.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -124.7 114.1 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 143.58 143.85 4.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 HG23 ' CG1' ' A' ' 30' ' ' VAL . 3.7 p -33.34 132.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.03 -43.62 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 24.3 tttm -129.43 156.23 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 2.3 pt20 -158.38 132.56 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.88 173.48 46.05 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -88.14 117.02 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.42 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 65.7 mtm -127.95 147.2 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mtp -92.67 110.05 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.14 137.7 33.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.9 tttp -80.81 96.42 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.29 169.12 24.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -83.2 47.03 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -134.32 174.38 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' LYS . 72.8 ttt180 -38.49 143.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' ARG . 18.7 mtpp -36.32 113.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -174.74 163.66 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.545 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 97.7 m95 -131.93 143.91 50.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -136.21 132.45 35.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.8 125.87 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -141.07 163.7 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.467 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 50.2 t-105 -89.07 133.47 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -121.58 127.07 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.479 ' CG1' HG23 ' A' ' 8' ' ' VAL . 98.6 t -110.95 95.43 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.09 120.1 15.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.541 ' CB ' HG21 ' A' ' 35' ' ' ILE . 18.3 mmtp -104.65 162.49 19.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.502 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.6 Cg_endo -69.82 -26.81 26.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -132.17 25.05 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.4 tt -179.45 179.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 44.2 mt -147.59 105.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.7 t -98.58 167.27 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.481 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 24.5 p90 -153.81 118.39 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 12.5 m-85 -107.42 152.91 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.7 t -49.58 -43.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.61 179.3 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.467 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.9 pt-20 -84.65 33.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.2 -23.05 12.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.2 mt 62.8 42.96 7.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -111.19 -46.41 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.52 87.86 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -75.49 136.58 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 30.2 mmtt -89.43 -47.4 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.71 -151.04 7.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -160.12 137.54 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.571 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 24.0 mt -107.45 94.98 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.22 112.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 ' CD1' HG13 ' A' ' 36' ' ' ILE . 33.9 mt -79.47 138.25 37.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ASN . 29.0 t70 -159.83 148.42 17.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 54' ' ' ASP . 3.1 pt-20 -34.37 -35.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 4.6 m-80 -63.92 -56.98 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.65 148.25 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.8 p -162.34 157.16 22.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 95' ' ' ILE . 10.6 p -107.02 147.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.56 155.82 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 p -97.4 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 48.5 mt -119.75 142.88 33.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.85 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.56 126.73 35.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -123.19 -46.72 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -110.17 58.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.83 36.8 92.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 34.8 mmtm -104.71 -176.32 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 3.1 mptp? -132.75 -58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.47 86.97 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 68' ' ' LYS . 7.7 mt -101.46 151.72 21.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.562 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -155.49 133.79 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' C ' HD23 ' A' ' 73' ' ' LEU . 6.2 tt -116.77 142.43 46.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -104.56 128.53 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.474 ' HD3' ' CG2' ' A' ' 80' ' ' THR . 2.5 mmtp -106.23 150.4 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -143.1 175.7 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 56' ' ' ASN . 11.0 m-85 -33.73 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -117.8 -29.87 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -82.3 155.68 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.474 ' CG2' ' HD3' ' A' ' 75' ' ' LYS . 8.5 p -138.91 136.5 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 3.2 m-85 -126.25 143.49 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -126.28 132.92 51.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.562 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.6 mt -136.46 148.38 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 t -120.09 149.59 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.82 156.56 30.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -95.95 -48.07 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -108.38 139.03 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -45.99 -44.6 15.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -46.64 -55.78 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.47 -61.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 2.6 tmtt? -43.13 -67.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -49.02 -67.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 43.0 m95 -46.29 -63.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.457 ' CG2' HG12 ' A' ' 59' ' ' VAL . 6.8 mt -48.58 -41.08 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.5 -49.79 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.53 69.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 62.7 mt -58.12 -57.76 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -48.26 -56.61 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 m -57.89 -46.24 85.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.5 m -52.78 -32.1 41.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.69 -41.3 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.481 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.4 t60 -50.11 -41.09 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.2 mt -57.95 -31.53 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.4 mt -78.15 -21.16 50.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.434 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 81.2 mttt -71.02 -37.5 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -55.23 -48.44 73.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.0 99.15 2.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.5 m -101.21 140.46 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -88.25 118.03 27.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 161.58 123.91 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 138.23 37.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -144.83 145.03 31.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.2 p -49.83 -45.34 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.6 p -71.55 131.96 44.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.839 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -127.03 -27.8 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.33 52.43 1.21 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 t -127.43 -41.21 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.794 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -89.19 45.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 121.17 -132.14 8.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG22 ' CG1' ' A' ' 30' ' ' VAL . 41.5 t -33.87 120.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.1 mt -77.48 -60.45 2.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -126.67 153.98 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.73 135.85 9.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.35 168.62 40.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.67 101.75 12.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 110.969 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.467 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 53.7 mtm -110.24 162.02 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtp -109.65 110.7 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -103.85 147.86 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.402 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 12.2 ttpp -100.64 109.73 21.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.37 -81.74 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -38.42 128.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 tpt85 -41.47 -47.04 3.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -61.36 144.72 53.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -56.12 100.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -162.5 123.61 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.422 ' CE3' ' OG ' ' A' ' 84' ' ' SER . 61.4 m95 -104.94 145.32 30.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 p -138.93 123.41 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.52 144.73 46.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 28.0 mtm-85 -165.1 143.56 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.548 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 52.2 t-105 -71.11 135.98 47.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 10.6 m-85 -121.06 148.91 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 37' ' ' SER . 51.4 t -131.34 101.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 29.7 tp -81.26 100.83 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.503 ' CB ' HG23 ' A' ' 35' ' ' ILE . 1.4 mmpt? -87.88 161.89 42.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -22.85 31.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.616 2.21 . . . . 0.0 112.387 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -135.04 23.92 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.503 HG23 ' CB ' ' A' ' 32' ' ' LYS . 3.3 tt 179.93 177.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.442 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 43.2 mt -150.33 104.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 19.7 m -113.74 144.79 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.474 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 7.2 p90 -128.26 123.17 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.501 ' CD1' HD22 ' A' ' 44' ' ' LEU . 47.9 m-85 -100.56 153.06 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -43.41 -41.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.42 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 3.9 m -140.55 -176.0 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.548 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.75 34.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -104.8 -26.18 12.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.501 HD22 ' CD1' ' A' ' 39' ' ' TYR . 15.3 mt 63.61 41.84 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -112.67 -44.21 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.41 92.37 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -75.25 144.58 42.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.56 -44.1 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -172.18 -159.75 19.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -154.12 135.42 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.502 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 69.0 mt -107.85 102.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.2 104.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 20.9 mt -70.33 139.03 51.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.3 m-20 -161.89 146.86 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 9.8 pt-20 -34.42 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.8 m120 -58.13 -57.14 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 99.7 m -56.86 147.77 22.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.5 m -160.74 159.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.4 p -107.52 141.65 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.09 159.23 41.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.0 p -89.97 143.83 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 73' ' ' LEU . 20.1 mt -115.91 151.09 46.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -165.12 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.27 126.89 41.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.69 157.48 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 t70 44.71 34.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.33 45.64 94.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -117.75 158.26 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.72 143.74 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.0 m 62.12 49.14 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.9 mt -85.79 145.87 27.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.516 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.0 p90 -146.88 136.34 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.454 ' N ' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -123.82 151.3 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.406 ' N ' HD21 ' A' ' 73' ' ' LEU . 80.8 t -108.38 128.43 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -104.87 117.39 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.65 176.7 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.0 m-85 -28.55 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -125.24 -31.18 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -82.1 153.66 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -135.18 151.39 50.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.502 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 24.7 m-85 -134.31 114.23 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -100.36 109.65 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.516 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.2 mt -115.24 152.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.422 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 2.5 p -125.53 133.1 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.28 178.12 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -111.91 -56.33 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -102.83 145.83 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -49.77 -44.26 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -53.4 -44.46 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -64.13 -59.92 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.28 -61.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 47.1 tt0 -55.47 -67.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.6 mm-40 -37.46 -50.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.45 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 37.6 m95 -55.92 -58.26 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 24.7 mt -53.66 -55.2 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -54.63 -44.62 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.2 -54.27 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 27.8 mt -58.18 -51.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -51.67 -52.85 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.1 m -59.55 -51.1 71.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.9 m -48.28 -41.41 27.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 53.3 mt -63.63 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.39 -39.08 82.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.76 -25.64 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.06 -31.3 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 27.4 mttp -61.34 -42.14 98.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -43.65 -45.78 7.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 140.35 78.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.8 m -100.54 93.28 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' GLY . 89.3 p 41.35 42.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' SER . . . -37.74 153.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -48.24 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.68 2.253 . . . . 0.0 112.409 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' SER . 91.6 p -124.95 103.8 8.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 113' ' ' SER . 12.9 p -36.27 -50.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -91.67 -51.19 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.805 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 t -113.76 103.27 11.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.47 -179.35 49.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 p -147.25 128.5 14.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -141.27 149.73 41.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -51.33 -67.38 2.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' GLY . 97.1 t -34.24 118.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -89.6 -57.33 2.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.9 tttp -127.72 159.75 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.32 136.42 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.63 164.85 33.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -85.51 102.97 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.499 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 29.3 mtm -109.88 155.99 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.476 ' HE2' ' N ' ' A' ' 25' ' ' THR . 22.4 mtp -104.47 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.23 152.47 19.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 34.4 tttt -96.95 112.52 24.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -43.2 141.16 2.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.488 ' CD2' ' H ' ' A' ' 20' ' ' ARG . 3.2 p80 -59.37 -53.26 60.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 10.1 tpt180 -77.91 -63.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -83.85 135.36 34.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -81.87 44.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -99.42 166.79 11.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.512 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 93.5 m95 -122.92 133.55 54.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.476 ' N ' ' HE2' ' A' ' 15' ' ' MET . 8.9 t -138.34 137.52 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -70.96 103.35 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -121.35 132.19 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -63.78 144.03 57.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.574 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.8 m-85 -130.26 144.39 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -127.6 96.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 23.7 tp -71.95 100.24 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 41.9 mmtt -81.3 163.48 54.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.548 0.69 . . . . 0.0 110.92 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.0 Cg_endo -69.76 -27.15 26.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' PRO . 1.5 m-20 -133.73 25.16 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.525 HG23 ' CB ' ' A' ' 32' ' ' LYS . 1.7 tt -178.61 -178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 53.7 mt -148.7 104.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 m -113.88 145.33 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 9.3 p90 -124.77 140.25 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 23.1 m-85 -117.85 156.75 27.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.7 t -46.67 -48.61 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -133.98 -174.93 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -84.18 34.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -107.15 -29.31 9.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.4 mt 67.03 45.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 -40.33 3.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -112.24 85.33 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 29.0 ttpt -63.04 150.73 41.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -108.54 -43.34 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.91 -168.12 37.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -148.06 145.67 28.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.561 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 38.6 mt -116.85 98.05 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.445 ' CD2' HD12 ' A' ' 35' ' ' ILE . 45.2 mt -51.96 112.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.72 132.86 36.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -154.25 147.05 24.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 6.2 pt-20 -34.43 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.3 m-80 -60.0 -52.64 64.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.41 ' N ' ' O ' ' A' ' 54' ' ' ASP . 90.8 m -52.74 133.43 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.1 m -141.41 159.92 41.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 60' ' ' GLU . 12.7 p -118.92 140.45 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -133.19 159.52 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -102.42 120.5 40.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' CD2' ' OE1' ' A' ' 60' ' ' GLU . 17.9 mt -93.01 150.91 40.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.78 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.367 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.95 115.69 28.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 147.65 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 52.3 36.88 20.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.51 46.79 74.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 35.4 mmtt -121.14 166.32 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.451 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -148.51 143.35 26.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.17 49.67 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.423 HD22 ' CB ' ' A' ' 84' ' ' SER . 12.2 mt -88.76 139.76 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.568 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 33.9 p90 -140.38 129.92 24.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.436 ' C ' HD21 ' A' ' 73' ' ' LEU . 3.7 tt -115.5 142.39 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.5 132.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.16 144.23 44.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.9 m -132.29 176.73 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 10.6 m-85 -30.25 -70.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.83 -29.33 4.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 79' ' ' LYS . 1.3 mtmp? -84.28 153.31 23.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.9 p -139.28 149.64 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.561 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 22.9 m-85 -139.52 145.83 39.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.71 125.64 38.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.568 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 6.6 mt -130.86 147.07 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 83' ' ' ILE . 97.8 p -116.64 132.09 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.06 163.48 16.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.4 p -88.14 -33.96 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.34 175.57 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.74 -36.93 77.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -55.52 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -54.0 -53.26 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -66.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' GLU . 6.1 tp60 -56.77 -64.97 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' GLN . 29.7 mt-10 -37.34 -51.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.468 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 29.3 m95 -61.16 -66.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 8.5 mt -42.06 -54.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.91 -39.26 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -55.16 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 mt -56.65 -45.37 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.49 -48.73 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 m -64.18 -49.1 73.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.0 m -49.71 -44.34 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 29.1 mt -69.09 -43.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -48.26 -39.22 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.4 mt -60.14 -37.97 81.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.7 mt -67.18 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -63.99 -45.9 86.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -45.68 -47.78 15.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.08 -62.58 2.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.5 m -105.99 100.94 10.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 t -91.03 111.97 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.63 160.53 17.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -4.01 13.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.647 2.232 . . . . 0.0 112.329 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.8 m -94.3 144.98 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -67.74 147.21 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 p 43.67 43.5 4.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -81.21 147.19 30.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.72 36.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 p -44.39 -55.18 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.815 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -125.65 93.93 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 144.04 -157.2 27.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 93.4 t -34.2 106.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.0 mt -78.38 -57.29 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.5 tttp -127.97 156.84 42.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -158.52 136.85 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.85 159.65 20.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.557 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -74.43 121.58 21.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.413 ' CE ' HG21 ' A' ' 83' ' ' ILE . 67.0 mtm -131.68 148.77 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.0 mtp -92.35 114.09 26.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -102.78 128.97 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 39.9 tttm -74.62 114.86 13.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.51 155.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -45.82 -61.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -125.83 39.35 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -131.28 127.26 37.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -81.74 46.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -124.59 146.41 49.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.499 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.5 m95 -111.89 122.59 48.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -124.39 135.2 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.6 133.88 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -152.69 159.3 43.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 38.6 t-105 -82.33 136.8 34.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.525 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 12.3 m-85 -125.51 127.76 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 37' ' ' SER . 98.9 t -113.16 102.52 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.8 tp -79.76 100.08 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.523 ' CD ' ' HD2' ' A' ' 33' ' ' PRO . 42.2 mmtt -82.54 163.57 51.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.523 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.82 -24.59 29.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 24.36 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.521 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.02 178.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.473 HG13 ' CD1' ' A' ' 53' ' ' LEU . 62.3 mt -148.56 104.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.401 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 21.3 m -112.66 132.87 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.525 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 3.0 p90 -116.34 116.81 28.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.51 ' CD1' HD23 ' A' ' 44' ' ' LEU . 39.9 m-85 -92.58 141.34 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.54 -24.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -130.55 169.77 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.53 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.3 pt-20 -90.28 30.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -113.27 -15.19 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.51 HD23 ' CD1' ' A' ' 39' ' ' TYR . 23.8 mt 67.75 29.56 6.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -93.79 -42.36 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.01 107.77 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 21.1 ttpt -87.02 130.24 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.63 -43.32 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.82 -160.56 19.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.47 150.52 28.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.572 HG12 ' CE1' ' A' ' 81' ' ' PHE . 34.6 mt -126.02 94.67 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.96 105.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 36' ' ' ILE . 34.6 mt -76.73 133.61 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.2 t70 -162.94 150.65 13.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 54' ' ' ASP . 15.7 pt-20 -28.91 -42.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.9 m-80 -57.36 -55.9 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' ASP . 69.2 m -57.63 148.34 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 31.5 p -161.59 165.88 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.442 HG21 ' N ' ' A' ' 60' ' ' GLU . 7.3 p -112.45 138.17 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.442 ' N ' HG21 ' A' ' 59' ' ' VAL . 5.1 mm-40 -126.95 143.57 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.6 p -82.51 122.0 27.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.3 mt -97.49 153.81 38.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.84 108.89 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -142.42 150.65 40.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 72.72 34.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.22 48.75 62.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -115.56 176.82 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.5 mptp? -130.86 -46.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 m -134.22 97.89 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.478 ' CD1' ' HD3' ' A' ' 65' ' ' LYS . 33.4 mt -106.72 168.03 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 14.9 p90 -175.1 133.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.437 ' C ' HD23 ' A' ' 73' ' ' LEU . 2.8 tt -125.81 155.41 41.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.7 t -111.06 128.33 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -100.73 118.77 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -112.57 176.8 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.8 m-85 -28.39 -74.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -125.04 -24.9 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -87.67 155.14 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.439 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 64.3 p -132.47 160.83 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CE1' HG12 ' A' ' 51' ' ' ILE . 32.6 m-85 -147.12 113.41 5.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -98.32 126.39 43.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.523 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 12.8 mt -130.29 142.93 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t -114.21 146.44 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.35 147.21 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -75.43 -58.62 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -113.4 145.1 41.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -41.95 -42.47 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -56.74 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -59.77 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -42.03 -65.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 93' ' ' GLU . 20.8 tt0 -51.63 -70.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' GLN . 9.7 mm-40 -37.01 -56.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.494 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 40.2 m95 -50.4 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.427 ' CG2' HG12 ' A' ' 59' ' ' VAL . 18.7 mt -44.85 -47.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.45 -44.61 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 -55.97 16.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.4 mt -56.04 -52.86 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -49.94 -55.43 14.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.9 m -57.52 -42.1 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.2 m -53.31 -42.25 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.424 HG23 ' NZ ' ' A' ' 106' ' ' LYS . 32.9 mt -71.51 -33.88 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -53.56 -36.07 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.2 mt -71.58 -34.92 70.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 mt -62.6 -25.51 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.471 ' HG3' ' CB ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -76.32 -43.65 40.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.3 -38.31 12.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -163.86 100.06 0.17 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.5 t -55.1 141.08 35.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -94.74 94.59 8.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 162.4 -144.6 9.82 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 142.64 48.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 m -68.25 147.19 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -80.08 -60.58 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -83.51 137.46 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -135.98 149.74 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.0 47.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -94.81 170.0 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -91.05 118.15 30.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.13 -120.45 5.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 9' ' ' LEU . 7.5 p -73.58 147.01 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' N ' HG22 ' A' ' 8' ' ' VAL . 20.7 mt -95.5 -49.12 5.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 11.6 tttp -129.45 152.44 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.92 134.47 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.64 152.01 10.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -66.48 106.45 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.423 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 56.6 mtm -112.95 151.71 30.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.8 mtp -91.41 112.35 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' NZ ' ' CE2' ' A' ' 38' ' ' TYR . 21.2 tttt -100.62 118.58 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 16.7 ttpp -47.97 -19.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.02 162.17 22.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.458 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.435 ' CG ' ' H ' ' A' ' 20' ' ' ARG . 4.2 p80 -42.42 -57.06 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' H ' ' CG ' ' A' ' 19' ' ' HIS . 3.8 tpp85 -134.52 -46.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -50.33 154.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' ASN . 17.1 pttp -80.39 -37.92 31.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' LYS . 18.3 t30 -37.25 116.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.507 ' CZ2' ' HB2' ' A' ' 17' ' ' LYS . 77.3 m95 -85.51 142.42 29.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.412 HG21 ' NH1' ' A' ' 27' ' ' ARG . 10.2 t -149.06 140.17 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.6 150.95 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.412 ' NH1' HG21 ' A' ' 25' ' ' THR . 40.1 mtm-85 -167.38 145.59 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 55.7 t-105 -72.62 132.12 43.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE2' HD11 ' A' ' 83' ' ' ILE . 12.9 m-85 -117.71 139.93 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.463 HG12 ' CG2' ' A' ' 8' ' ' VAL . 53.9 t -124.87 90.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' CD2' ' HB1' ' A' ' 97' ' ' ALA . 9.8 tp -70.94 106.01 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.525 ' CB ' HG22 ' A' ' 35' ' ' ILE . 2.4 mptt -91.12 165.44 21.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -25.64 28.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -134.73 25.48 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.525 HG22 ' CB ' ' A' ' 32' ' ' LYS . 4.7 tt -179.32 174.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -149.43 105.27 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 p -103.92 170.12 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 4.3 p90 -148.45 125.43 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.432 ' CD1' HD21 ' A' ' 44' ' ' LEU . 40.0 m-85 -111.29 134.88 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.897 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.469 ' CG1' ' HD3' ' A' ' 48' ' ' LYS . 11.5 m -47.53 -19.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -140.66 172.44 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 12.4 pt-20 -90.08 27.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -104.33 -12.1 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.432 HD21 ' CD1' ' A' ' 39' ' ' TYR . 12.2 mt 58.02 37.78 26.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -110.46 -40.8 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -105.34 90.96 3.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.9 141.49 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.6 mmmt -103.11 -17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.93 -165.21 35.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -152.71 140.11 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 81' ' ' PHE . 12.9 mt -105.71 93.91 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.9 mt -55.38 105.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.8 mt -71.21 147.36 48.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 55' ' ' GLU . 19.0 t70 -174.04 148.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.492 ' OE2' ' ND2' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -34.37 -39.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' ND2' ' OE2' ' A' ' 55' ' ' GLU . 8.7 m-80 -57.54 -54.53 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.14 155.14 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 p -166.43 156.78 12.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.6 147.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -137.27 149.62 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 m -97.18 126.3 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.3 mt -109.86 146.44 34.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -168.94 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.12 110.82 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 66' ' ' ASP . 14.4 ttmm -109.33 141.5 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 16.3 t70 34.66 46.34 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.49 55.98 7.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' HB2' ' CD1' ' A' ' 71' ' ' LEU . 15.2 mmtp -130.0 174.1 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -147.65 152.51 37.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.5 m 46.04 53.57 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 68' ' ' LYS . 2.8 mt -86.84 166.14 15.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 28.5 p90 -167.66 134.99 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.418 HD22 ' C ' ' A' ' 73' ' ' LEU . 4.2 tt -127.94 147.29 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.35 128.46 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -104.14 122.47 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -113.93 176.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 12.5 m-85 -28.48 -72.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -125.31 -28.34 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -84.36 152.71 23.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 31.9 p -131.07 159.37 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 51' ' ' ILE . 28.9 m-85 -145.03 122.05 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -110.64 120.31 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.4 mt -126.31 151.43 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.9 t -122.61 131.59 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.29 158.56 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -81.97 -59.03 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -118.37 167.12 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.23 -32.41 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.52 -60.24 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.6 mptm? -54.59 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LYS . 7.4 tmtt? -36.39 -64.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' TRP . 2.2 tp60 -62.36 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' GLN . 32.3 mm-40 -37.66 -31.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.43 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 34.5 m95 -79.77 -65.75 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 11.4 mt -45.83 -42.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -58.29 -52.83 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 31' ' ' LEU . . . -58.62 -53.21 60.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 30.5 mt -57.16 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -43.36 -57.19 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 t -55.86 -53.13 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.0 m -43.82 -43.12 6.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 54.0 mt -71.21 -47.3 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -45.75 -41.84 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.6 mt -57.25 -33.42 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.8 mt -73.22 -34.92 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -57.91 -43.7 86.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -45.86 -53.5 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.05 162.49 9.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.444 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -167.63 150.1 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.802 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t 46.08 41.92 9.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -133.49 151.7 20.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 159.86 51.84 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' SER . 94.5 p -66.46 103.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' SER . 71.5 m -36.87 143.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 p -158.69 153.42 24.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -135.9 141.32 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.45 117.74 0.94 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 57.9 m -105.34 77.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 32.4 t 34.36 39.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.03 -126.34 1.87 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.422 ' CG2' HG13 ' A' ' 30' ' ' VAL . 7.1 p -76.49 133.28 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.1 mt -79.09 -51.29 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.499 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 26.8 tttp -124.84 156.8 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.515 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 pt20 -158.58 132.89 7.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 176.67 145.67 5.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.3 118.06 8.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.378 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.444 ' HE3' ' CE3' ' A' ' 94' ' ' TRP . 62.1 mtm -127.98 151.94 48.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 mtp -95.7 118.01 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -103.16 139.54 38.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.9 tttp -71.3 121.02 17.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.19 -121.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -84.28 171.63 12.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -38.39 -34.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.462 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 12.3 ttm180 -60.34 136.63 58.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 98.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -150.73 139.12 20.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.6 m95 -132.02 133.1 44.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.0 p -141.07 135.79 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.1 149.91 47.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -165.93 141.35 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.515 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 45.7 t-105 -67.39 135.69 53.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.67 130.95 53.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG13 ' CG2' ' A' ' 8' ' ' VAL . 97.8 t -116.45 95.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.3 tp -75.33 97.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.966 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.523 ' CB ' HG23 ' A' ' 35' ' ' ILE . 35.4 mmtt -79.6 163.8 56.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.517 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.74 -25.46 28.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -134.95 25.58 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.523 HG23 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.74 178.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.434 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 67.3 mt -149.38 104.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.1 m -108.57 154.3 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 11.5 p90 -130.75 127.91 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.5 m-85 -110.74 124.19 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -33.61 -33.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' TYR . 7.5 t -124.88 -175.03 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.405 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.0 pt-20 -104.36 28.86 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -101.46 -11.17 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt 60.08 33.56 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -109.31 -41.9 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.9 t0 -104.53 107.48 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 30.4 ttpt -100.6 144.6 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 48.1 mmtt -101.32 -45.53 5.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.18 -179.03 41.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.51 133.51 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.557 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 16.5 mt -97.55 97.74 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.8 mt -54.84 108.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 mt -76.02 150.12 37.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' GLU . 1.2 p30 -172.5 148.82 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 54' ' ' ASP . 8.5 pt-20 -33.76 -51.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 m120 -49.75 -53.66 23.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.0 m -54.74 139.61 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.7 t -153.95 169.64 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 95' ' ' ILE . 7.2 p -120.48 150.02 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -133.55 162.53 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -102.99 113.15 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.1 mt -87.62 149.94 47.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -168.79 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -83.65 128.13 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.25 158.71 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 50.01 41.04 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.87 54.12 33.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' HZ1' ' CB ' ' A' ' 84' ' ' SER . 32.9 mmtp -134.41 169.74 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.486 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -131.75 -41.31 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m -121.6 91.49 3.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.0 mt -113.24 153.27 28.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' ILE . 24.3 p90 -157.72 134.08 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 73' ' ' LEU . 4.6 tt -125.59 149.51 48.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.88 128.63 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -105.45 122.36 45.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.5 176.63 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.0 m-85 -30.1 -71.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -125.47 -26.01 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -84.48 151.1 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.407 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 34.7 p -133.06 154.92 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 32.8 m-85 -145.41 109.2 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -94.33 119.79 33.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.472 HG21 ' N ' ' A' ' 84' ' ' SER . 12.5 mt -121.29 151.03 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.472 ' N ' HG21 ' A' ' 83' ' ' ILE . 31.6 t -116.28 141.0 48.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.96 160.65 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.8 t -87.2 -56.71 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.11 157.23 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -41.04 -38.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -51.25 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -53.42 -57.09 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -63.51 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 26.0 tt0 -58.66 -65.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 23.3 mm-40 -37.72 -55.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.499 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -56.03 -57.04 13.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.424 HG23 ' CG1' ' A' ' 59' ' ' VAL . 14.4 mt -50.05 -54.72 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -54.92 -42.8 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.87 -57.52 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 60.5 mt -57.83 -55.06 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -47.57 -56.67 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -57.47 -47.63 81.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -48.14 -37.69 16.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.411 ' CG2' ' HA ' ' A' ' 55' ' ' GLU . 33.1 mt -68.11 -43.25 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 5.3 t60 -51.1 -40.26 58.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.27 -34.89 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.45 -32.88 68.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.443 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 61.8 mttt -58.87 -45.56 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -42.53 -51.82 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.37 119.96 5.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 t -61.89 152.0 33.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 86.1 p -172.81 176.65 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.98 149.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 117.63 5.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.395 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.8 t -54.34 -57.21 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -136.77 129.55 30.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -128.27 138.46 52.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m 45.63 41.98 7.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.87 91.38 0.33 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -80.79 114.53 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -165.96 124.37 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.08 -133.71 11.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.3 t -43.44 108.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -87.36 -54.46 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.9 tttp -124.11 153.17 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -158.46 127.84 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.63 162.86 33.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 4.5 m-85 -81.89 112.4 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.472 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 71.0 mtm -121.63 157.2 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.422 ' HE2' ' C ' ' A' ' 24' ' ' TRP . 6.7 mtp -97.18 122.13 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -111.02 128.32 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.1 tttm -66.97 118.11 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -41.41 143.36 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -51.22 -57.49 8.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -121.35 40.45 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -146.47 142.6 28.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -92.0 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -124.63 140.07 53.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.479 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 95.4 m95 -99.3 139.77 34.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.7 p -141.99 140.35 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 1.5 tp10 -73.12 137.09 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -148.27 141.45 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -77.1 125.08 28.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -108.94 148.02 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.6 t -133.08 87.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.07 98.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.2 mmtp -81.18 163.15 56.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.854 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.75 -25.67 28.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.244 . . . . 0.0 112.399 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.01 26.35 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.536 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.4 tt -179.91 179.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 61.5 mt -148.83 105.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -108.86 170.04 8.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -150.07 117.52 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 9.3 m-85 -91.88 147.53 22.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.3 p -56.79 -16.56 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -150.16 174.84 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -87.54 28.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.16 -13.33 17.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 20.7 mt 52.71 50.26 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -129.2 -38.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -106.52 85.03 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.521 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 7.9 ttmt -63.86 142.92 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.59 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 50' ' ' ASP . . . -169.56 -152.66 8.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -163.07 137.32 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.563 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 89.5 mt -114.67 89.9 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.4 mt -51.67 105.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' CD1' HG13 ' A' ' 36' ' ' ILE . 13.7 mt -71.62 142.65 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' HB3' ' ND2' ' A' ' 56' ' ' ASN . 10.8 t70 -167.24 153.09 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.451 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 5.2 pt-20 -37.68 -50.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.51 ' ND2' ' H ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -49.93 -47.29 52.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.51 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 93.2 m -64.76 140.19 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 23.0 m -156.29 165.26 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.7 p -105.58 149.33 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.5 125.32 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 p -74.43 129.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.8 mt -119.62 142.41 32.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.594 0.712 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.44 117.09 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.36 -27.48 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' LYS . 10.8 t0 -128.51 76.61 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 35.32 30.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 66' ' ' ASP . 23.2 mmtm -116.0 169.89 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -137.72 143.07 41.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.8 m 61.79 50.15 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mt -82.74 150.31 26.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 46.8 p90 -151.09 135.21 16.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.425 ' C ' HD21 ' A' ' 73' ' ' LEU . 5.1 tt -122.22 142.8 50.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.449 HG13 ' N ' ' A' ' 75' ' ' LYS . 92.3 t -104.7 135.27 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' N ' HG13 ' A' ' 74' ' ' VAL . 6.9 mtpm? -110.72 130.72 55.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -124.51 176.42 6.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.6 m-85 -31.4 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -123.71 -28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -81.95 151.55 27.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.0 p -134.41 147.14 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 40.8 m-85 -137.67 130.38 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -117.73 125.41 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 7.3 mt -128.94 156.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 p -115.71 154.77 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 91' ' ' LYS . . . -120.02 152.24 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -82.24 -54.62 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.97 175.03 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -61.82 -30.93 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -61.52 -64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -47.4 -60.14 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.69 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' GLU . 29.5 tt0 -55.39 -65.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' GLN . 36.7 mt-10 -37.55 -44.65 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -66.93 -58.98 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 4.8 mt -51.88 -56.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -49.99 -41.67 47.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.65 -62.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.1 mt -50.77 -52.75 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.28 -52.64 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.3 m -60.2 -48.42 81.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.1 m -49.07 -42.19 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.7 mt -66.06 -47.46 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -42.91 -44.19 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.81 -36.6 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 28.7 mt -75.42 -32.74 60.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.451 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 69.2 mttt -57.0 -42.49 80.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -42.53 -51.46 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 67.93 -161.06 49.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' SER . 18.7 m -130.22 171.41 12.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.884 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' SER . 73.3 p -37.46 145.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.89 -153.41 16.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 164.77 33.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.3 p -146.48 176.52 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.6 p -78.88 142.99 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -108.23 42.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -81.2 95.04 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.44 149.56 18.76 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.5 m -52.89 -46.21 67.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 10.1 p -34.54 147.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -53.14 -61.61 6.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.47 ' CG2' HG11 ' A' ' 30' ' ' VAL . 1.3 p -33.61 128.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.362 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.4 mt -89.7 -51.35 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -122.35 153.68 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -158.85 132.64 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.38 170.88 44.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.7 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.954 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.451 ' HE1' ' CZ3' ' A' ' 94' ' ' TRP . 62.2 mtm -114.49 151.47 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -98.88 112.38 24.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -96.91 142.91 28.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.7 tttp -80.32 108.61 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.77 -55.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -48.04 95.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ARG . 4.2 tpm_? 40.57 42.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' ARG . 6.6 tpp180 34.36 41.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -133.17 -58.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -88.32 160.21 17.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 89.3 m95 -116.79 145.79 43.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -133.44 138.92 46.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.35 131.27 40.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -145.78 144.84 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.417 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 33.8 t-105 -74.51 138.95 43.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 21.7 m-85 -127.5 136.85 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 HG11 ' CG2' ' A' ' 8' ' ' VAL . 44.2 t -120.37 94.4 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.1 96.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' CB ' HG21 ' A' ' 35' ' ' ILE . 18.9 mmtp -80.25 163.06 59.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.571 0.701 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.5 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.76 -26.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 27.44 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.553 HG21 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt 179.75 179.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.44 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 30.0 mt -148.71 105.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -112.41 133.9 54.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CE2' ' CB ' ' A' ' 48' ' ' LYS . 6.7 p90 -119.18 116.76 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.402 ' CE1' HD22 ' A' ' 44' ' ' LEU . 54.3 m-85 -91.17 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.6 -28.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -137.57 171.05 15.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.5 pt-20 -87.3 23.83 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.0 -21.6 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD22 ' CE1' ' A' ' 39' ' ' TYR . 23.5 mt 70.52 42.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -108.59 -47.53 3.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.69 98.26 6.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.92 138.44 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.583 ' CB ' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -79.74 -40.12 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.63 -169.6 42.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.548 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.05 143.46 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.567 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 86.1 mt -121.64 96.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.6 mt -59.87 109.79 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.415 HD11 ' C ' ' A' ' 35' ' ' ILE . 33.2 mt -79.7 142.41 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.7 t70 -170.81 152.59 3.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 16.9 pt-20 -32.68 -43.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.502 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 2.2 m-80 -55.92 -58.54 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.3 m -58.95 143.44 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 28.7 p -157.27 158.36 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.2 p -112.5 140.22 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -132.91 166.19 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.7 p -96.87 140.7 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 73' ' ' LEU . 28.7 mt -110.91 153.5 43.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -173.03 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.14 119.71 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 12.0 ptpt -147.35 166.13 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 t70 41.43 41.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.02 51.08 58.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -117.84 174.76 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -133.86 -41.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.5 m -132.71 97.67 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.415 ' CD1' ' HG2' ' A' ' 65' ' ' LYS . 15.6 mt -113.61 158.24 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.556 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 32.2 p90 -159.09 129.98 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 7.8 tt -117.89 146.72 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.3 t -112.26 128.44 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HD2' ' CD2' ' A' ' 73' ' ' LEU . 0.0 OUTLIER -103.44 136.11 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.4 176.11 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.502 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 14.2 m-85 -33.28 -72.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -120.33 -31.95 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 166.18 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.5 p -142.06 161.2 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 80.2 m-85 -149.36 126.56 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -113.54 120.87 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.556 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 23.3 mt -123.14 154.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.46 ' N ' HG23 ' A' ' 83' ' ' ILE . 44.1 t -124.12 135.24 53.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.25 154.6 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -76.75 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -114.74 159.77 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 15.8 ptpt -48.74 -36.76 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 33.1 tttt -54.07 -64.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -52.77 -49.72 64.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 tmtt? -48.93 -57.21 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.33 -65.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -40.95 -47.9 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.451 ' CZ3' ' HE1' ' A' ' 14' ' ' MET . 36.1 m95 -62.96 -62.35 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 15.2 mt -47.82 -57.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.37 -50.94 68.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.11 -48.6 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.11 -48.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -48.34 -57.9 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.5 t -56.51 -44.97 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.1 m -47.57 -40.84 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 19.5 mt -74.52 -45.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 4.2 t60 -44.78 -49.18 10.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.2 mt -49.14 -36.03 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 mt -74.92 -39.59 61.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.466 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 85.1 mttt -50.69 -41.3 55.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.2 -49.21 23.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.56 144.11 27.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.9 p -116.86 153.51 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.9 t -124.32 142.17 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.5 135.02 2.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.85 15.65 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.287 . . . . 0.0 112.306 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -121.91 163.97 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 m -109.0 174.26 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -67.06 117.8 9.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.388 . . . . 0.0 110.829 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -145.77 130.72 18.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.95 84.18 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -84.86 137.27 33.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -79.03 145.45 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.403 ' CA ' ' HZ2' ' A' ' 32' ' ' LYS . . . 43.56 -108.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.422 ' CG2' HG12 ' A' ' 30' ' ' VAL . 5.4 p -60.49 123.74 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 mt -79.07 -45.11 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 28.8 tttm -129.17 155.67 45.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 4.2 pt20 -158.52 134.45 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.67 147.29 6.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.452 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 15.2 m-85 -64.76 112.12 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.572 ' HE3' ' CZ3' ' A' ' 94' ' ' TRP . 24.6 mtm -115.89 163.03 16.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.4 mtp -111.52 111.82 23.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -101.72 137.95 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 33.3 tttm -79.78 102.53 9.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.72 -101.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -134.46 -44.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -39.36 157.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' LYS . 18.0 mtp-105 -72.21 120.16 17.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' ARG . 38.9 mtmt 34.48 46.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.7 80.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.453 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 70.0 m95 -68.52 166.74 16.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -147.98 136.86 21.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 12.1 tt0 -77.69 142.02 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -157.45 137.19 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.574 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 53.9 t-105 -67.44 114.64 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 15.6 m-85 -100.17 123.32 44.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG12 ' CG2' ' A' ' 8' ' ' VAL . 95.1 t -109.43 96.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 46.5 tp -72.21 112.67 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.536 ' CB ' HG23 ' A' ' 35' ' ' ILE . 25.3 mmtt -96.59 163.68 19.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.544 0.688 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.507 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.0 Cg_endo -69.76 -26.19 27.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -135.01 26.95 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.536 HG23 ' CB ' ' A' ' 32' ' ' LYS . 3.1 tt 179.83 178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.427 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 87.6 mt -149.29 105.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.8 p -104.31 169.32 8.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.11 117.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 56.0 m-85 -103.67 125.01 49.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -34.5 -32.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.6 t -126.09 176.18 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.516 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 20.4 pt-20 -97.33 31.51 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.04 -8.83 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt 57.82 37.01 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -110.31 -46.0 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.0 t0 -103.34 113.36 26.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -101.19 147.12 26.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -106.56 -40.94 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.99 -172.94 37.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -146.8 131.3 17.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.806 0.336 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.577 HD12 ' CD2' ' A' ' 81' ' ' PHE . 33.3 mt -99.4 94.24 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.86 108.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' C ' ' OD1' ' A' ' 54' ' ' ASP . 19.4 mt -72.23 128.68 36.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.462 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.9 OUTLIER -139.15 141.34 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' ASP . 16.6 pt-20 -33.69 -40.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.544 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 m-80 -62.77 -55.66 24.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 m -42.99 146.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 4.2 t -157.53 165.05 36.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -122.42 144.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -136.3 164.69 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.5 p -103.72 133.0 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD13 ' CB ' ' A' ' 73' ' ' LEU . 63.1 mt -113.85 146.1 34.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -169.01 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.36 125.66 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 9.2 ptpp? -118.58 -39.53 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.405 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 t70 -134.25 78.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 47.97 44.99 25.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 55.8 mmtt -109.54 176.89 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.905 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.23 -55.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.403 ' HB3' ' CB ' ' A' ' 91' ' ' LYS . 53.2 m -124.76 92.44 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 15.6 mt -100.6 156.99 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 32.3 p90 -158.34 132.13 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' CB ' HD13 ' A' ' 62' ' ' LEU . 7.0 tt -120.39 153.86 35.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.2 t -114.37 128.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -108.62 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -112.32 176.43 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.544 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 12.3 m-85 -31.45 -68.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.28 -32.7 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.33 160.05 22.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 45.9 p -143.7 159.01 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CD2' HD12 ' A' ' 51' ' ' ILE . 23.7 m-85 -143.91 129.71 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -111.72 122.74 48.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.515 HD13 ' CE2' ' A' ' 29' ' ' PHE . 14.3 mt -130.13 152.61 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.469 ' N ' HG21 ' A' ' 83' ' ' ILE . 34.0 t -124.12 135.82 53.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.95 154.69 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.6 t -89.3 -48.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.39 147.7 28.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -55.39 -43.99 75.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -56.77 -38.73 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' CE ' ' HE1' ' A' ' 94' ' ' TRP . 14.2 mtpt -62.81 -58.47 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' CB ' ' HB3' ' A' ' 70' ' ' CYS . 8.4 tmtt? -46.61 -59.69 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -55.63 -58.94 5.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -45.08 -59.73 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.572 ' CZ3' ' HE3' ' A' ' 14' ' ' MET . 43.5 m95 -46.48 -62.69 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.6 mt -49.29 -49.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -42.96 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.18 -56.46 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.7 mt -55.21 -50.77 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -50.25 -50.36 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.419 ' CG2' HD11 ' A' ' 53' ' ' LEU . 61.4 m -50.62 -48.51 57.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.4 mt -61.49 -47.22 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.4 t60 -43.17 -40.66 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.26 -37.87 72.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.48 -34.24 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -57.07 -45.52 83.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' GLY . 4.1 mm? -42.73 -44.01 4.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -35.62 -84.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 t -109.35 117.67 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 m -100.02 -51.16 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 136.3 -127.36 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -177.99 2.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 m -78.92 131.35 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 t -93.43 160.21 14.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -77.15 175.28 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -151.56 109.14 3.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.38 -177.76 41.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 p -118.64 87.39 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -67.86 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -176.01 -175.85 43.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 30' ' ' VAL . 1.7 p -33.92 129.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.09 -47.99 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 19.8 tttp -123.51 155.52 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.6 137.26 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.91 165.53 34.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.471 ' CD1' ' HG2' ' A' ' 26' ' ' GLU . 4.9 m-85 -82.33 102.2 11.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . 0.499 ' HE1' ' CZ3' ' A' ' 94' ' ' TRP . 46.7 mtm -110.23 154.43 23.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.452 ' CE ' ' HB3' ' A' ' 24' ' ' TRP . 74.7 mtp -102.73 115.2 30.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -99.52 127.12 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.522 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 20.0 tttm -70.44 120.85 16.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.18 167.91 52.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -55.2 -49.54 71.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ARG . 12.2 tpp180 -40.43 156.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' ARG . 13.1 ttt-85 -35.43 -49.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.44 134.64 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -174.96 109.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 98.8 m95 -109.88 125.46 52.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -134.09 136.83 44.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 32.3 tt0 -72.09 100.48 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -116.67 132.08 56.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.442 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.5 t-105 -63.44 130.49 44.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -118.31 129.8 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 8' ' ' VAL . 84.7 t -114.73 95.02 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.47 100.63 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.5 mmtp -83.72 162.51 52.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.51 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.79 -24.81 29.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.25 25.12 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.534 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.9 tt -179.78 178.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.435 ' H ' ' CG1' ' A' ' 35' ' ' ILE . 44.1 mt -148.22 105.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -104.51 170.44 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.28 116.46 5.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CE2' ' HE3' ' A' ' 47' ' ' LYS . 53.5 m-85 -100.8 151.11 22.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -42.31 -48.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -131.86 -174.82 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.442 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.13 33.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -34.4 11.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.6 mt 69.85 41.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -118.79 -40.48 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.72 105.73 14.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 16.0 ttmt -81.7 152.53 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -113.75 -34.79 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -177.29 165.88 36.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.04 124.32 34.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.562 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 43.1 mt -97.84 97.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.51 109.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.447 HD12 ' CG2' ' A' ' 101' ' ' THR . 25.9 mt -77.1 134.97 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.4 p-10 -156.11 147.3 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' ASP . 7.1 pt-20 -34.5 -39.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -57.09 -58.97 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 59.0 m -54.01 153.44 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.6 t -162.41 163.23 27.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.53 137.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -132.25 145.82 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -83.09 136.56 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 69.7 mt -102.1 153.99 37.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -169.8 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.07 110.06 21.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.459 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 9.5 ptpt -135.77 174.23 10.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 28.5 t70 36.66 37.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.84 56.34 23.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 38.2 mmtm -118.92 -178.09 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -134.29 -44.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.7 m -132.45 96.41 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.459 ' CD1' ' HG2' ' A' ' 65' ' ' LYS . 33.1 mt -112.0 147.98 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.539 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 7.7 p90 -148.33 131.21 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' C ' HD21 ' A' ' 73' ' ' LEU . 5.2 tt -124.49 149.95 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.3 t -105.0 128.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -103.43 115.78 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.518 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.9 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 76' ' ' CYS . 7.4 m-85 -28.49 -73.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.41 -27.71 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -83.5 149.47 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.7 p -128.14 157.27 41.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.562 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 64.7 m-85 -142.0 109.65 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -96.63 116.82 29.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.539 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.7 mt -124.22 152.63 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.2 t -124.6 132.5 53.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.0 177.85 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -92.06 -52.6 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 90' ' ' LYS . 44.6 m-20 -138.13 167.64 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -45.2 -42.06 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -51.62 -59.96 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' A' ' 87' ' ' ASP . 0.0 OUTLIER -58.79 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.855 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -45.36 -60.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.6 tp60 -55.82 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 12.1 mm-40 -37.6 -56.28 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.499 ' CZ3' ' HE1' ' A' ' 14' ' ' MET . 35.4 m95 -52.0 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.4 mt -45.78 -53.17 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -54.9 -41.25 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.63 57.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.85 -55.32 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -47.88 -55.31 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.0 t -58.56 -42.67 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.447 ' CG2' HD12 ' A' ' 53' ' ' LEU . 34.4 m -51.94 -40.03 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 56.5 mt -73.3 -40.47 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -55.08 -39.8 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.01 -31.65 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.23 -32.94 67.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -60.67 -45.54 93.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -42.83 -50.18 5.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -37.5 -77.45 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 m -107.28 139.89 41.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m -99.9 166.03 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.86 145.73 4.48 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.62 48.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.0 p -90.56 141.28 28.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 p -81.63 -48.25 11.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.647 HG21 HG13 ' A' ' 30' ' ' VAL . 6.7 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.853 0.359 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 33' ' ' PRO . 32.8 mt -92.42 -49.07 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.619 ' HB2' HD23 ' A' ' 31' ' ' LEU . 11.5 tttp -128.52 155.09 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 pt20 -158.51 136.39 10.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.99 173.5 45.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -87.01 114.58 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.451 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 43.6 mtm -123.76 158.31 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 mtp -99.99 109.43 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 81' ' ' PHE . 21.8 tptt -91.36 142.61 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 30.9 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.3 m95 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 p -142.07 122.08 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -50.73 134.64 24.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 -154.21 142.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.508 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 60.7 t-105 -71.82 145.13 48.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 14.1 m-85 -129.91 140.7 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.647 HG13 HG21 ' A' ' 8' ' ' VAL . 61.8 t -125.0 91.54 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD23 ' HB2' ' A' ' 10' ' ' LYS . 4.4 tp -70.49 105.65 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.609 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.3 mptt -89.61 164.67 28.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.636 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.8 Cg_endo -69.7 -26.39 27.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -133.7 25.16 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.609 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.4 tt -179.12 176.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -148.28 104.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -99.6 164.61 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -145.27 116.07 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.2 m-85 -105.94 150.24 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.0 t -44.86 -44.13 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 62.5 p -135.02 -174.96 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 12.6 pt-20 -86.27 33.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.97 -29.54 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.87 43.38 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -110.85 -42.11 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.18 88.37 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 24.2 ttpt -66.89 145.69 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -106.44 -43.47 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.73 175.11 47.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.21 135.08 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.595 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 6.3 mt -102.91 95.89 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 35' ' ' ILE . 23.1 mt -55.95 101.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.542 HD11 HG13 ' A' ' 36' ' ' ILE . 38.4 mt -71.88 146.9 47.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HA ' HD13 ' A' ' 105' ' ' LEU . 1.6 p30 -174.18 151.61 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -34.69 -40.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.97 -49.92 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.552 ' O ' HD13 ' A' ' 102' ' ' ILE . 94.9 m -64.5 142.6 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.0 p -155.67 167.42 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.728 ' CG1' HG23 ' A' ' 95' ' ' ILE . 13.7 p -116.95 145.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -136.5 152.65 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.5 p -86.06 134.24 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 73' ' ' LEU . 42.2 mt -107.65 152.42 41.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -169.49 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.74 126.56 36.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LYS . 6.8 ptpp? -144.18 167.41 22.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t0 35.53 37.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.1 45.29 96.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.712 ' HB2' HD11 ' A' ' 71' ' ' LEU . 32.5 mmtm -117.29 160.21 21.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -134.8 147.24 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.31 53.53 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 68' ' ' LYS . 3.8 mt -89.69 150.19 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 32.6 p90 -151.86 156.44 40.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.571 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.2 tt -144.58 152.94 41.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.17 130.54 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -109.16 117.5 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.13 176.46 5.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 76' ' ' CYS . 8.6 m-85 -31.61 -69.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.64 -27.06 3.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.46 155.34 22.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.415 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 p -135.44 157.46 46.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.595 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.2 m-85 -145.42 111.75 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.82 117.15 34.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 16.1 mt -123.5 152.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 83' ' ' ILE . 43.2 t -120.16 135.3 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.35 163.57 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 t -85.29 -56.78 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -126.27 178.36 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -62.53 -36.04 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.05 -60.37 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' LYS . 5.7 mptt -58.17 -61.08 2.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HD3' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -38.0 -60.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 94' ' ' TRP . 25.5 tt0 -64.9 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -37.92 -32.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.507 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 33.9 m95 -79.15 -66.7 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.728 HG23 ' CG1' ' A' ' 59' ' ' VAL . 52.6 mt -44.61 -42.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.69 -50.4 73.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.72 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -57.72 -48.82 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -58.04 -48.67 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 p -63.16 -43.79 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.1 m -51.21 -39.31 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 57' ' ' CYS . 30.5 mt -72.01 -48.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -42.94 -44.61 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.0 -36.98 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 54' ' ' ASP . 23.3 mt -71.03 -29.33 65.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.477 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 66.9 mttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG13 HG13 ' A' ' 30' ' ' VAL . 88.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.55 -60.99 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.7 tttp -126.49 156.08 41.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -158.44 124.82 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.06 176.2 42.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 18.5 m-85 -91.74 103.77 16.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.478 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 67.7 mtm -114.78 158.61 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.9 mtp -100.67 116.24 32.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -106.24 142.92 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 17.4 ttpp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.421 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 93.3 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.5 p -152.12 139.52 19.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 4.6 tp10 -68.3 146.52 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.4 mtt-85 -166.33 142.68 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 53.2 t-105 -72.71 136.08 45.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.58 149.72 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.683 HG13 HG13 ' A' ' 8' ' ' VAL . 46.7 t -134.54 97.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 HG12 ' A' ' 36' ' ' ILE . 23.2 tp -73.53 94.95 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.616 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.4 mptt -77.47 164.82 55.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -28.8 24.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 34' ' ' ASN . 51.8 t-20 -131.95 25.31 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.616 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.0 tt -178.5 177.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.463 HG12 HD12 ' A' ' 31' ' ' LEU . 37.7 mt -148.09 104.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -101.46 169.94 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 30.6 p90 -152.16 117.41 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CG ' ' HA ' ' A' ' 44' ' ' LEU . 47.5 m-85 -102.49 135.29 44.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 m -48.27 -19.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 m -138.64 174.83 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.7 pt-20 -93.05 27.99 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -104.12 -21.67 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 15.7 mt 69.31 36.72 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -111.41 -47.46 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.14 97.72 8.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -92.76 144.6 25.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 7.0 mmtp -99.94 -39.7 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.22 -164.2 28.16 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.49 139.04 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.794 HD11 ' CD2' ' A' ' 81' ' ' PHE . 25.9 mt -104.4 98.73 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.509 HD23 HD11 ' A' ' 35' ' ' ILE . 42.4 mt -57.06 105.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 12.9 mt -71.98 134.11 45.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -157.49 150.84 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -38.1 -35.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.517 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 15.5 m120 -63.09 -57.04 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' HD13 ' A' ' 102' ' ' ILE . 88.6 m -54.08 147.51 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.434 ' O ' HG13 ' A' ' 74' ' ' VAL . 28.2 p -157.56 167.37 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.79 138.57 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.576 ' OE2' HD21 ' A' ' 62' ' ' LEU . 10.1 pt-20 -133.85 137.82 45.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.9 p -82.68 127.82 33.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD21 ' OE2' ' A' ' 60' ' ' GLU . 41.7 mt -108.6 143.26 27.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.75 125.05 29.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -54.76 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 13.6 t70 -121.7 59.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.68 37.25 94.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' LEU . 24.2 mmtt -110.6 169.99 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -142.36 141.33 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m 58.09 48.84 12.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 68' ' ' LYS . 9.4 mt -81.19 149.05 29.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 27.2 p90 -152.12 130.08 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 73' ' ' LEU . 6.6 tt -119.94 144.99 47.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 58' ' ' CYS . 99.6 t -104.5 128.57 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -106.45 122.65 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.11 176.37 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CZ ' ' CG ' ' A' ' 56' ' ' ASN . 8.4 m-85 -32.79 -70.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.76 -25.67 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -86.83 160.07 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.79 149.35 36.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.794 ' CD2' HD11 ' A' ' 51' ' ' ILE . 11.5 m-85 -136.47 117.35 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.82 119.89 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.1 mt -123.91 159.92 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.525 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.6 p -130.39 126.75 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -85.69 172.84 10.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -99.73 -54.0 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.66 156.9 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -45.69 -39.79 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.92 -58.55 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -53.49 -61.13 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -43.12 -66.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 30.6 tt0 -51.04 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 6.0 mm-40 -37.85 -46.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.521 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.5 m95 -64.65 -64.33 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 72' ' ' PHE . 3.5 mt -46.1 -54.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -54.14 -51.31 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.11 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.22 -54.57 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.18 -58.83 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.3 t -52.79 -51.53 60.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.6 m -46.46 -39.75 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.456 HG22 ' HE3' ' A' ' 106' ' ' LYS . 64.1 mt -74.96 -44.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -49.91 -40.28 42.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.8 mt -59.27 -30.33 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.3 mt -84.18 -22.12 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HE3' HG22 ' A' ' 102' ' ' ILE . 84.3 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.66 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.369 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 33' ' ' PRO . 8.6 mt -86.46 -55.03 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE2' ' CD1' ' A' ' 94' ' ' TRP . 28.5 tttp -118.24 156.53 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -158.56 136.15 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.446 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 178.88 163.67 30.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -77.33 106.46 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.538 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 56.8 mtm -118.92 150.95 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.7 mtp -104.2 124.36 48.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HZ2' ' HZ ' ' A' ' 29' ' ' PHE . 3.9 ttpm? -111.98 139.29 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 20.4 ttpp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 91.3 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.1 p -129.13 134.79 48.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.05 101.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.687 ' NH1' HG22 ' A' ' 40' ' ' VAL . 9.5 tpt180 -117.76 135.99 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 48.5 t-105 -68.48 126.5 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' HZ ' ' HZ2' ' A' ' 16' ' ' LYS . 19.8 m-85 -111.87 147.2 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 ' CG2' ' A' ' 8' ' ' VAL . 61.3 t -129.66 95.46 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 HG12 ' A' ' 36' ' ' ILE . 55.2 tp -71.53 96.29 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.646 ' CB ' HG22 ' A' ' 35' ' ' ILE . 39.9 mmtt -78.28 162.94 64.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.76 -25.91 28.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -135.04 26.38 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 52' ' ' LEU . 2.3 tt -179.69 -179.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.557 HG13 HD11 ' A' ' 53' ' ' LEU . 49.4 mt -148.42 105.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.5 m -116.94 149.42 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.806 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -126.21 137.3 53.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 47' ' ' LYS . 86.9 m-85 -111.61 148.55 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG22 ' NH1' ' A' ' 27' ' ' ARG . 92.6 t -42.31 -38.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -143.72 -175.24 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.19 32.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.61 -29.26 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 39' ' ' TYR . 18.6 mt 68.77 44.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -114.38 107.09 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ttmp? -97.47 155.46 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 24.8 mmtt -105.15 -35.14 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.11 -171.98 44.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.5 145.31 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.567 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 77.9 mt -112.79 88.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 35' ' ' ILE . 27.5 mt -51.17 109.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 HG13 ' A' ' 36' ' ' ILE . 37.8 mt -77.36 146.29 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 55' ' ' GLU . 28.5 m-20 -164.94 149.28 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 7.9 pt-20 -33.81 -37.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 m-80 -61.85 -55.21 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.522 ' O ' HD13 ' A' ' 102' ' ' ILE . 90.3 m -54.84 145.39 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.5 t -159.36 164.68 34.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.407 HG13 HG23 ' A' ' 95' ' ' ILE . 7.6 p -117.7 143.79 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -135.47 159.76 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -96.13 126.2 41.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 73' ' ' LEU . 43.9 mt -97.28 146.22 30.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.653 0.739 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.6 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.5 119.87 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -146.5 164.58 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LYS . 14.7 t0 35.8 42.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.75 46.79 66.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.669 ' CB ' HD11 ' A' ' 71' ' ' LEU . 16.6 mmtm -122.99 179.54 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -150.49 167.9 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 69' ' ' LYS . 59.4 m 34.96 50.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD11 ' CB ' ' A' ' 68' ' ' LYS . 4.2 mt -85.56 152.03 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 30.0 p90 -152.11 130.01 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.898 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.5 tt -118.66 144.35 46.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 58' ' ' CYS . 79.4 t -106.35 128.56 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 7.0 mtpm? -105.23 127.13 52.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -118.42 176.43 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.3 m-85 -32.07 -72.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.84 -27.84 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.0 155.24 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.3 p -136.58 152.75 50.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 47.1 m-85 -141.54 125.42 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.84 109.91 20.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.567 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.2 mt -113.0 154.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.1 t -119.15 130.22 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.14 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.6 t -75.96 -58.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -124.85 155.29 39.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -42.95 -36.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -59.78 -53.23 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -56.62 -60.84 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -36.52 -59.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' TRP . 6.1 tp60 -62.09 -72.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' GLN . 7.3 mm-40 -37.37 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.538 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 36.7 m95 -80.53 -57.18 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 72' ' ' PHE . 22.1 mt -57.06 -49.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -59.03 -46.37 88.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.43 -52.7 64.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.9 mt -59.89 -49.74 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -47.75 -55.34 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.3 t -61.4 -51.02 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -44.39 -38.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 57' ' ' CYS . 71.2 mt -74.04 -47.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -47.85 -40.12 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -57.63 -31.25 66.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.05 -29.53 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 99.4 mttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.493 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.6 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.87 0.367 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.69 -47.03 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.5 tttm -127.89 154.03 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -158.08 130.29 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -176.77 166.78 37.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 11.1 m-85 -81.09 115.92 20.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.454 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 68.1 mtm -127.38 150.83 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 mtp -92.14 111.92 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.27 135.21 44.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.3 tttm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.2 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.8 p -134.02 132.66 40.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 46.4 tt0 -69.62 96.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' NH1' ' HD2' ' A' ' 48' ' ' LYS . 8.0 tpp180 -113.77 137.62 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.7 t-105 -68.07 139.89 56.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 15.8 m-85 -129.04 125.22 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' CG2' ' A' ' 8' ' ' VAL . 93.7 t -109.13 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 36' ' ' ILE . 52.4 tp -70.31 119.07 13.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.636 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.6 mmtt -103.0 162.78 19.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.2 Cg_endo -69.79 -25.77 28.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -133.94 25.59 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.636 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.59 178.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.675 HG13 HD11 ' A' ' 53' ' ' LEU . 37.1 mt -148.18 105.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.6 167.79 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.591 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 13.3 p90 -150.4 116.26 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.76 168.5 9.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.34 -55.73 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 p -123.29 -175.2 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 16.4 pt-20 -84.69 30.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.428 ' CG ' ' HG3' ' A' ' 45' ' ' LYS . 19.7 t0 -105.11 -27.53 11.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 30' ' ' VAL . 17.5 mt 66.46 39.91 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG3' ' CG ' ' A' ' 43' ' ' ASP . 17.9 mtpp -100.85 -39.81 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -117.55 113.08 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -86.48 144.99 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD2' ' NH1' ' A' ' 27' ' ' ARG . 8.6 mmpt? -102.89 -42.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.54 -153.77 9.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -159.7 146.95 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 37.4 mt -117.05 93.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 35' ' ' ILE . 25.2 mt -54.46 113.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD11 HG13 ' A' ' 36' ' ' ILE . 36.2 mt -81.68 141.67 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 55' ' ' GLU . 8.0 m-20 -161.88 150.2 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.493 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 11.5 pt-20 -33.02 -42.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 5.5 m-80 -58.93 -55.63 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.495 ' O ' HD13 ' A' ' 102' ' ' ILE . 99.0 m -51.89 140.92 18.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.457 ' O ' HG13 ' A' ' 74' ' ' VAL . 29.9 p -156.18 168.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.659 ' CG1' HG23 ' A' ' 95' ' ' ILE . 8.8 p -123.57 140.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.54 161.36 26.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 p -100.81 103.45 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -76.57 147.45 78.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -87.12 121.93 30.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -146.7 160.36 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.19 42.46 6.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.72 35.48 91.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HG3' HD11 ' A' ' 71' ' ' LEU . 64.8 mmtt -103.82 172.71 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.65 -38.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.0 m -131.92 96.27 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD11 ' HG3' ' A' ' 68' ' ' LYS . 26.3 mt -114.04 164.01 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.7 p90 -168.41 130.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 73' ' ' LEU . 4.8 tt -119.91 152.79 36.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 58' ' ' CYS . 86.8 t -111.95 128.63 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -106.0 115.38 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -109.6 176.66 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 56' ' ' ASN . 8.7 m-85 -30.66 -71.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.68 -27.73 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -82.42 162.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.462 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 18.7 p -141.5 158.38 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 49.5 m-85 -150.67 113.99 4.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 73' ' ' LEU . 19.9 tt0 -102.32 126.83 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 10.3 mt -132.31 150.88 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.413 ' CB ' HD23 ' A' ' 71' ' ' LEU . 31.2 t -115.22 150.2 36.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.61 158.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.2 t -86.09 -62.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -113.99 145.15 41.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -41.21 -41.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -50.13 -56.13 12.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -58.03 -50.47 73.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -49.66 -52.4 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -50.74 -60.63 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 33.8 m95 -48.63 -60.62 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.659 HG23 ' CG1' ' A' ' 59' ' ' VAL . 4.9 mt -49.44 -48.61 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -57.7 -43.46 85.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.66 -50.96 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.497 HG23 HD11 ' A' ' 36' ' ' ILE . 21.1 mt -58.93 -56.48 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -45.09 -51.27 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -59.09 -46.93 87.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 33' ' ' PRO . 58.8 m -48.44 -44.43 35.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 57' ' ' CYS . 23.4 mt -68.85 -37.89 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.512 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 22.8 t-80 -49.28 -45.38 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.14 -32.1 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 53' ' ' LEU . 47.0 mt -72.94 -33.76 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.512 ' CD ' ' HA ' ' A' ' 103' ' ' HIS . 3.2 mtpm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.559 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.23 -48.98 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -127.6 153.45 46.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -158.6 133.21 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.75 159.98 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD1' ' OE2' ' A' ' 26' ' ' GLU . 5.8 m-85 -71.05 120.89 17.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.2 mtm -127.61 147.37 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.4 mtp -92.35 111.14 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -102.48 133.5 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.1 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.5 p -142.4 131.82 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' OE2' ' CD1' ' A' ' 13' ' ' TYR . 31.6 tt0 -64.63 129.76 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -145.81 141.34 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.2 t-105 -75.25 137.22 41.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 14.9 m-85 -124.28 143.89 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 8' ' ' VAL . 93.2 t -125.63 98.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 36' ' ' ILE . 61.3 tp -74.84 103.5 5.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.645 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.7 mmtt -86.59 162.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.6 Cg_endo -69.68 -26.02 28.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -134.97 26.8 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.645 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.99 179.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG12 HD12 ' A' ' 31' ' ' LEU . 36.3 mt -148.78 105.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 m -115.81 141.65 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.585 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 1.6 p90 -123.32 130.27 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 45.2 m-85 -100.82 144.63 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' CE ' ' A' ' 48' ' ' LYS . 7.9 p -52.82 -25.23 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 p -135.69 170.59 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.8 pt-20 -85.78 28.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -106.45 -26.84 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.0 mt 74.09 38.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -107.88 -42.71 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.26 81.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 8.0 ttpm? -60.12 133.74 56.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CE ' ' HB ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -81.39 -39.8 24.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . 177.82 -178.93 48.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.8 m-20 -132.13 153.14 50.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.585 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 55.7 mt -127.86 96.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 35' ' ' ILE . 33.6 mt -56.41 105.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 101' ' ' THR . 31.6 mt -69.28 139.61 54.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 64.5 m-20 -161.54 143.93 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -34.59 -38.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -59.63 -54.17 49.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.489 ' O ' HD13 ' A' ' 102' ' ' ILE . 85.3 m -61.16 145.58 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 74' ' ' VAL . 3.8 m -159.72 160.99 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.547 HG13 HG23 ' A' ' 95' ' ' ILE . 7.2 p -108.4 148.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -137.9 174.63 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.0 t -112.54 128.21 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 73' ' ' LEU . 94.1 mt -100.98 147.98 34.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' 71' ' ' LEU . 53.2 Cg_endo -69.84 -165.36 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.42 105.76 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 11.6 ttmm -112.38 143.21 43.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 39.97 34.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 71.26 1.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HG3' HD11 ' A' ' 71' ' ' LEU . 20.7 mmtm -125.72 177.93 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.79 -41.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 91.5 m -130.87 96.06 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 63' ' ' PRO . 26.2 mt -114.8 162.56 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 18.4 p90 -171.25 132.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 74' ' ' VAL . 5.4 tt -124.15 155.37 38.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.58 ' N ' HD23 ' A' ' 73' ' ' LEU . 86.8 t -117.01 128.45 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.23 135.52 39.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -130.62 176.6 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.6 m-85 -30.1 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -124.35 -23.71 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -87.31 154.37 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.7 p -134.14 139.91 46.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 41.5 m-85 -122.93 117.14 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -103.91 124.9 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.6 mt -132.7 154.58 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 83' ' ' ILE . 47.6 t -128.32 132.1 48.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.07 162.83 13.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -94.36 -55.19 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.52 152.75 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.53 -44.66 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -51.07 -49.46 60.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -63.18 -54.99 28.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.08 -64.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 31.2 tt0 -57.53 -65.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 20.1 mm-40 -37.29 -45.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -63.75 -59.24 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.547 HG23 HG13 ' A' ' 59' ' ' VAL . 14.9 mt -50.81 -45.99 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.48 -49.68 72.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.53 75.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.31 -51.98 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -43.96 -59.82 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.7 m -56.16 -46.0 79.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 53' ' ' LEU . 87.6 m -46.6 -42.97 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 57' ' ' CYS . 33.6 mt -71.54 -40.42 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -48.6 -42.8 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.6 mt -55.77 -35.48 66.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.36 -37.32 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 34.2 mttp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.566 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.875 0.369 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.52 -45.36 12.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.2 tttp -129.16 155.52 45.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.6 pt20 -157.44 132.1 8.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.27 168.39 41.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 5.2 m-85 -86.04 110.13 19.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.519 ' HE3' HG21 ' A' ' 83' ' ' ILE . 69.7 mtm -121.55 157.99 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.2 mtp -104.91 111.85 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -97.24 129.25 44.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.544 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 23.4 tttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.1 m95 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.0 p -138.9 128.25 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 13' ' ' TYR . 27.0 tt0 -72.09 105.96 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -122.83 132.26 54.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 54.6 t-105 -61.57 134.4 56.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 16.1 m-85 -119.04 134.31 55.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.566 HG13 ' CG2' ' A' ' 8' ' ' VAL . 87.1 t -118.22 95.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.67 106.67 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.1 mmtp -90.51 163.5 30.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.565 0.698 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.73 -26.38 27.8 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.746 2.298 . . . . 0.0 112.357 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -135.03 27.2 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.632 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.76 179.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 98' ' ' ILE . 50.2 mt -149.32 104.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 m -114.58 137.7 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 19.4 p90 -120.76 124.33 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.8 m-85 -100.07 161.36 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.73 -43.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -138.27 -175.27 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.71 35.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -103.05 -31.2 10.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.77 45.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -119.31 -42.68 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.77 92.14 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 21.0 ttmt -70.0 155.34 40.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -113.25 -37.0 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.77 -175.47 45.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.41 139.44 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.811 HD11 ' CD2' ' A' ' 81' ' ' PHE . 64.9 mt -113.08 89.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.88 111.25 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 35' ' ' ILE . 58.3 mt -75.75 128.69 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 5.8 m-20 -144.14 143.49 31.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ASP . 13.8 pt-20 -34.58 -36.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.4 m-80 -61.95 -54.96 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.0 m -51.79 152.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.55 ' O ' HG13 ' A' ' 74' ' ' VAL . 30.8 p -161.89 165.21 27.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.557 HG13 HG23 ' A' ' 95' ' ' ILE . 7.4 p -121.3 144.99 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -132.45 165.61 23.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.4 t -107.16 117.54 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 73' ' ' LEU . 61.0 mt -101.64 141.31 22.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.87 123.72 32.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.664 ' HE3' HD13 ' A' ' 71' ' ' LEU . 10.4 ptpt -120.62 -52.52 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 65' ' ' LYS . 7.8 m-20 -106.34 73.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.69 48.04 1.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -125.55 -179.05 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.15 144.18 25.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m 61.16 54.79 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.664 HD13 ' HE3' ' A' ' 65' ' ' LYS . 5.9 mt -88.65 143.98 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 28.7 p90 -150.21 130.98 14.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 62' ' ' LEU . 4.7 tt -119.68 152.73 36.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 58' ' ' CYS . 98.4 t -111.86 128.4 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -105.43 122.7 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -116.79 176.53 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.4 m-85 -29.84 -70.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.17 -27.67 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -85.97 159.0 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 p -138.9 153.91 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.811 ' CD2' HD11 ' A' ' 51' ' ' ILE . 29.1 m-85 -140.5 114.96 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -101.42 122.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.7 mt -129.41 141.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -108.69 128.96 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -85.39 159.0 20.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.5 p -84.07 -49.87 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -133.85 166.33 22.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -41.95 63.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -51.15 -59.93 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.9 mptm? -59.39 -61.4 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 4.1 tmtt? -34.93 -55.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' TRP . 4.2 tp60 -69.32 -65.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -40.58 -26.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.452 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 32.6 m95 -80.42 -58.28 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.557 HG23 HG13 ' A' ' 59' ' ' VAL . 45.5 mt -55.08 -43.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -62.88 -39.92 95.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.12 -50.91 51.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.484 HG23 HD11 ' A' ' 36' ' ' ILE . 28.2 mt -60.21 -54.79 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.87 -54.67 11.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.5 m -57.92 -45.92 85.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 33' ' ' PRO . 72.3 m -50.21 -41.7 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.7 mt -71.77 -44.31 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.4 t-80 -47.44 -40.07 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.25 -30.81 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 53' ' ' LEU . 58.4 mt -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.4 mttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.839 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 33' ' ' PRO . 12.4 mt -79.17 -54.09 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.3 tttp -129.25 157.88 40.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.1 pt20 -158.31 124.87 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.94 159.3 32.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -81.83 108.24 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.933 0.396 . . . . 0.0 110.958 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.486 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 40.7 mtm -118.68 157.85 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.453 ' HE2' ' N ' ' A' ' 25' ' ' THR . 15.6 mtp -103.38 112.9 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 30.7 tttm -95.01 146.45 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 26.8 tttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.414 ' CZ2' ' HE3' ' A' ' 17' ' ' LYS . 94.4 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' HE2' ' A' ' 15' ' ' MET . 41.0 p -150.69 135.77 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.12 128.5 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -146.26 129.54 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 55.2 t-105 -64.77 115.18 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -98.32 137.66 36.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -120.37 100.57 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' A' ' 9' ' ' LEU . 17.3 tp -76.59 94.92 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.642 ' CB ' HG22 ' A' ' 35' ' ' ILE . 17.2 mmtp -77.08 162.98 67.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.727 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.784 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 -26.02 28.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -134.94 26.92 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 53' ' ' LEU . 2.5 tt 179.87 179.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.463 HG13 HD11 ' A' ' 53' ' ' LEU . 40.2 mt -148.84 105.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.8 m -118.25 146.73 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -118.64 129.6 55.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -106.02 153.12 22.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t -42.48 -57.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 m -126.21 -174.76 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 10.7 pt-20 -83.49 35.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -104.94 -31.58 9.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.9 mt 69.39 39.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -106.53 -41.43 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -116.45 112.5 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -82.46 154.88 24.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -112.97 -41.63 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.88 -166.94 25.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -155.31 139.18 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 81' ' ' PHE . 53.8 mt -116.97 96.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 35' ' ' ILE . 26.7 mt -54.74 113.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 35' ' ' ILE . 51.0 mt -78.42 140.75 38.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' GLU . 66.0 m-20 -161.32 148.43 14.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 3.8 pt-20 -37.38 -33.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.9 m120 -63.62 -57.63 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.415 ' O ' HD13 ' A' ' 102' ' ' ILE . 96.9 m -50.03 143.04 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.522 ' O ' HG13 ' A' ' 74' ' ' VAL . 12.1 p -155.23 173.38 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG21 HG12 ' A' ' 95' ' ' ILE . 8.2 p -121.56 150.75 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -141.86 142.6 33.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.2 p -81.34 120.64 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 73' ' ' LEU . 36.3 mt -98.52 149.36 35.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 179.92 3.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.69 123.91 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -142.25 151.87 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t0 57.18 45.48 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.03 57.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -121.25 -177.19 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -164.01 149.26 10.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 m 55.46 51.6 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 65' ' ' LYS . 3.9 mt -88.39 156.71 19.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -164.31 136.62 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.685 HD12 ' HB2' ' A' ' 82' ' ' GLU . 8.0 tt -123.38 151.5 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 58' ' ' CYS . 87.5 t -112.2 128.62 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -105.4 123.88 48.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.478 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.27 176.64 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.35 -71.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -125.36 -27.14 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -85.65 157.49 20.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 38.1 p -135.01 155.68 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.698 ' CD2' HD11 ' A' ' 51' ' ' ILE . 31.3 m-85 -146.94 108.61 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' HD12 ' A' ' 73' ' ' LEU . 70.3 tt0 -99.82 129.7 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.554 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.5 mt -131.2 157.65 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.49 ' N ' HG22 ' A' ' 83' ' ' ILE . 10.6 p -130.19 119.97 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -78.43 -179.0 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -112.73 -47.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.35 147.61 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -43.9 -40.73 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -53.77 -59.71 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -56.35 -61.68 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 5.0 tmtt? -37.89 -62.24 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -62.37 -65.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' HE2' ' A' ' 10' ' ' LYS . 6.7 mm-40 -37.8 -33.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 32.4 m95 -77.68 -58.28 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.476 HD11 ' CB ' ' A' ' 72' ' ' PHE . 21.8 mt -52.12 -47.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -58.14 -52.89 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.32 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.0 mt -50.52 -47.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -55.4 -46.73 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 m -65.63 -46.1 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.3 m -50.79 -45.14 59.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 57' ' ' CYS . 60.7 mt -66.17 -43.94 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -49.01 -40.26 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.9 mt -58.45 -31.73 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.09 -27.89 48.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 72.9 mttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.846 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.651 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 33' ' ' PRO . 7.4 mt -78.57 -53.63 7.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -127.36 156.45 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.7 132.11 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.66 179.66 40.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 10.7 m-85 -104.01 105.39 15.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.673 ' HE1' ' CB ' ' A' ' 29' ' ' PHE . 3.2 mpp? -115.23 168.32 10.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.2 mtp -107.53 110.94 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -98.02 129.96 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 19.3 tttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 96.9 m95 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.776 0.322 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -129.68 137.23 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 36.7 tt0 -74.0 99.63 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -112.81 145.49 40.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 46.7 t-105 -77.17 127.89 33.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.673 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 16.3 m-85 -113.13 147.3 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.651 HG13 ' CG2' ' A' ' 8' ' ' VAL . 98.7 t -130.94 99.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' HG ' HD12 ' A' ' 9' ' ' LEU . 11.3 tp -75.75 90.45 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HG22 ' A' ' 35' ' ' ILE . 42.7 mmtt -72.24 163.03 70.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.8 Cg_endo -69.74 -25.77 28.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.94 26.47 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.632 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.98 178.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.578 HG13 HD11 ' A' ' 53' ' ' LEU . 56.3 mt -149.1 104.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -116.48 158.95 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 8.7 p90 -131.74 129.51 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 88.4 m-85 -104.78 158.33 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 85.2 t -54.49 -45.42 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.4 p -126.87 179.51 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.551 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 17.3 pt-20 -84.05 34.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -107.39 -31.29 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 30' ' ' VAL . 16.1 mt 72.39 42.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -109.04 -42.11 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -115.04 98.32 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 25.2 ttpp -77.25 153.24 34.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.4 mmmt -108.64 -42.0 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' HZ2' ' A' ' 47' ' ' LYS . . . -166.05 171.79 41.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -132.79 138.14 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 20.6 mt -111.46 93.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD23 HD11 ' A' ' 35' ' ' ILE . 38.7 mt -50.26 108.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 36' ' ' ILE . 14.3 mt -77.81 135.27 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 55' ' ' GLU . 41.3 t0 -169.42 157.22 7.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 13.7 pt-20 -33.39 -52.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.604 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -48.63 -53.4 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.598 ' O ' HD13 ' A' ' 102' ' ' ILE . 35.8 m -62.09 131.96 51.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' HA ' HD13 ' A' ' 102' ' ' ILE . 32.1 p -151.7 153.34 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.61 146.08 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.82 135.4 29.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 m -68.99 143.01 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 73' ' ' LEU . 65.7 mt -117.4 156.06 49.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.72 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 119.21 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -140.12 150.19 43.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 22.7 t70 60.94 42.75 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.36 52.8 42.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -127.35 173.5 9.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -149.94 153.79 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.3 m 52.84 54.6 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.511 HD13 ' HD2' ' A' ' 65' ' ' LYS . 3.1 mt -90.32 151.86 21.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.5 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 29.4 p90 -156.83 142.68 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.636 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.9 tt -131.05 155.09 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.74 130.75 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -108.76 124.0 49.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 77' ' ' PHE . 14.4 m -119.34 176.69 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.604 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 5.6 m-85 -30.21 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -122.52 -29.78 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -82.29 155.29 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 p -140.12 148.32 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 15.7 m-85 -135.9 124.49 23.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -108.52 124.97 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.5 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.5 mt -130.9 148.37 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -117.54 133.36 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.43 175.1 6.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.1 t -100.79 -56.97 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.72 155.44 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -44.73 -38.0 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -52.94 -60.25 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -59.9 -54.67 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -45.98 -61.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.8 tp-100 -57.73 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.0 mm-40 -37.9 -52.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -57.74 -62.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.4 mt -46.85 -55.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.35 -39.47 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.16 -57.62 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.24 -54.37 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.15 -56.3 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -55.24 -48.24 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.1 m -50.35 -40.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 57' ' ' CYS . 45.0 mt -69.98 -50.2 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -42.17 -49.34 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.1 mt -49.16 -37.46 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 54' ' ' ASP . 16.1 mt -73.34 -33.6 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 68.5 mttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.605 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.7 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.833 0.349 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.31 -48.98 9.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 33.3 tttm -125.44 155.78 39.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -158.44 134.21 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 178.86 154.26 12.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD1' ' CD ' ' A' ' 26' ' ' GLU . 12.8 m-85 -69.12 101.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.596 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 60.9 mtm -110.53 146.28 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.1 mtp -93.03 111.84 23.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' LYS . 12.8 tttm -99.34 120.15 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 8.3 tptp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 70.1 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -153.83 133.9 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.34 144.75 55.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -162.95 137.84 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.52 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 34.7 t-105 -66.13 122.84 18.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -114.16 120.17 39.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.605 HG13 ' CG2' ' A' ' 8' ' ' VAL . 94.7 t -104.68 102.11 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD12 HG12 ' A' ' 36' ' ' ILE . 18.2 tp -81.15 99.89 8.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' CB ' HG22 ' A' ' 35' ' ' ILE . 31.8 mmtt -81.51 163.22 55.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.2 Cg_endo -69.71 -23.88 30.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.379 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -134.74 23.41 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.595 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -178.93 178.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.456 HG12 HD12 ' A' ' 31' ' ' LEU . 84.8 mt -148.51 104.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.6 m -114.64 141.55 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -120.53 125.55 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 64.1 m-85 -103.43 122.37 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -32.95 -34.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 61.8 p -118.52 171.91 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.9 pt-20 -96.58 30.65 2.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -113.87 -7.34 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt 63.0 34.61 13.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -99.75 -45.23 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 3.4 m-20 -107.88 119.27 38.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -102.84 146.67 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 2.8 mmmp? -104.23 -45.04 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . -174.67 -177.61 43.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 2.5 m-20 -136.95 130.03 30.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 26.1 mt -96.62 95.68 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -56.73 104.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 35' ' ' ILE . 71.4 mt -71.11 139.01 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' GLU . 36.4 t70 -158.0 150.02 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.0 pt-20 -33.65 -45.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -55.22 -55.22 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 58.5 m -52.04 140.9 19.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.03 169.65 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.539 ' CG1' HG23 ' A' ' 95' ' ' ILE . 11.3 p -119.58 140.5 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -132.96 134.81 45.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.8 m -78.42 135.34 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' CB ' ' A' ' 73' ' ' LEU . 62.0 mt -109.75 149.52 40.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -172.03 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.242 . . . . 0.0 112.325 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -85.09 121.39 27.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -138.12 147.6 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 52.32 37.79 23.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.52 44.35 90.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.661 ' CB ' HD11 ' A' ' 71' ' ' LEU . 43.7 mmtt -114.55 172.47 7.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -156.91 145.16 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m 57.66 45.38 19.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.661 HD11 ' CB ' ' A' ' 68' ' ' LYS . 16.8 mt -85.73 160.54 19.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.513 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 36.1 p90 -162.05 133.65 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.541 ' CB ' HD11 ' A' ' 62' ' ' LEU . 5.0 tt -122.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -105.06 128.46 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -108.97 132.77 53.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.55 176.65 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.69 -71.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -123.9 -28.98 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.447 ' N ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.78 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 14.6 p -134.17 152.84 52.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 39.5 m-85 -144.44 122.29 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -106.99 122.06 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 15.3 mt -126.48 147.99 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 47.7 t -115.4 129.01 56.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.26 155.06 21.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' OD2' ' CB ' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -128.49 153.33 47.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -43.05 -39.99 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.422 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 51.5 tttm -54.53 -59.0 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -58.86 -52.29 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.52 -55.89 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.7 tp-100 -64.57 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' GLN . 16.5 mt-10 -36.99 -45.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 39.1 m95 -62.14 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.539 HG23 ' CG1' ' A' ' 59' ' ' VAL . 18.5 mt -48.52 -51.88 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -55.42 -45.66 76.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.7 -55.76 29.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.41 HG12 HD13 ' A' ' 31' ' ' LEU . 22.2 mt -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -50.01 -52.25 35.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 t -59.91 -50.3 74.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 33' ' ' PRO . 33.6 m -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.8 mt -75.77 -46.96 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -46.11 -42.73 14.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.89 -33.23 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.5 mt -76.01 -34.84 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.6 mttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.633 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.1 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.876 0.369 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.03 -50.14 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.523 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.0 tttp -121.35 156.74 31.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -158.61 131.51 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.528 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 177.84 161.54 26.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 3.9 m-85 -76.78 121.09 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.8 mtm -129.89 148.98 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.3 mtp -94.86 121.36 36.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -108.66 133.48 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 tttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.857 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 77.6 m95 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 p -142.04 137.59 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 19.5 tt0 -66.73 118.23 9.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -139.32 130.56 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 29.8 t-105 -59.22 140.04 56.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.3 m-85 -128.29 133.84 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.633 HG13 ' CG2' ' A' ' 8' ' ' VAL . 92.0 t -116.09 92.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 31' ' ' LEU . 16.2 tp -71.07 92.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.654 ' CB ' HG22 ' A' ' 35' ' ' ILE . 21.2 mmtt -76.96 162.9 68.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.538 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.77 -26.37 27.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -135.01 27.26 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.654 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.5 tt -179.97 179.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.66 HG13 HD11 ' A' ' 53' ' ' LEU . 48.9 mt -149.07 105.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.6 p -114.51 140.83 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.424 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 7.2 p90 -121.87 129.8 52.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' SER . 49.9 m-85 -106.73 126.58 52.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -36.23 -29.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 21.8 p -129.08 167.22 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 22.5 pt-20 -88.68 33.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.86 -19.54 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.5 mt 66.2 40.21 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -122.64 -38.64 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 7.3 t0 -104.09 102.42 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -93.32 145.24 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -104.82 -42.35 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.84 -169.81 29.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -147.95 141.02 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.572 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 28.0 mt -114.01 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 35' ' ' ILE . 24.3 mt -53.43 108.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD11 HG13 ' A' ' 36' ' ' ILE . 36.7 mt -77.91 131.17 37.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 11.9 m-20 -156.11 154.57 31.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.2 pt-20 -33.83 -46.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -52.27 -53.95 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.7 m -57.74 149.08 22.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.1 p -162.13 163.83 28.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 p -111.6 143.98 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -128.37 167.48 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -106.26 106.64 17.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 73' ' ' LEU . 63.3 mt -75.89 154.67 84.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.613 0.721 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.16 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.65 103.34 15.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 154.09 44.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD2' ' NE1' ' A' ' 24' ' ' TRP . 26.9 t0 67.51 40.72 2.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.19 68.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -124.58 171.78 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -134.03 -45.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.9 87.89 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.8 mt -109.52 152.04 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 95' ' ' ILE . 43.1 p90 -159.35 133.75 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -122.34 148.72 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -108.38 128.17 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 21.2 mtpt -104.12 126.28 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -120.29 176.65 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.9 m-85 -29.82 -72.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -125.03 -26.87 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 21.5 mtmt -83.68 150.29 25.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.7 p -132.93 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 38.9 m-85 -139.58 120.95 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' OE2' HD13 ' A' ' 62' ' ' LEU . 33.7 tt0 -105.24 117.47 34.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 84' ' ' SER . 15.7 mt -120.77 154.36 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 45.4 t -124.61 129.68 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.33 140.36 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 t -72.86 -58.04 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 155.62 26.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -49.17 -42.51 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -47.99 -60.31 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -56.11 -53.6 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.78 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' GLU . 16.9 tt0 -54.75 -67.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' GLN . 35.2 mm-40 -37.28 -57.71 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.523 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 39.6 m95 -51.84 -67.86 0.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 72' ' ' PHE . 7.2 mt -43.58 -55.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -53.62 -46.31 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.41 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.3 mt -55.88 -55.21 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -48.56 -54.98 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.6 m -58.43 -49.74 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.6 m -46.55 -43.64 17.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.9 mt -67.63 -43.95 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -45.38 -44.68 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.9 mt -54.49 -36.15 63.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 mt -76.74 -29.15 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.8 mttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.583 ' CG2' HG13 ' A' ' 30' ' ' VAL . 3.7 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.03 -43.62 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 24.3 tttm -129.43 156.23 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 2.3 pt20 -158.38 132.56 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.88 173.48 46.05 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -88.14 117.02 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.438 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 65.7 mtm -127.95 147.2 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mtp -92.67 110.05 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.14 137.7 33.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.9 tttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 97.7 m95 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -136.21 132.45 35.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.8 125.87 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -141.07 163.7 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 50.2 t-105 -89.07 133.47 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -121.58 127.07 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.583 HG13 ' CG2' ' A' ' 8' ' ' VAL . 98.6 t -110.95 95.43 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.09 120.1 15.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.631 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.3 mmtp -104.65 162.49 19.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.6 Cg_endo -69.82 -26.81 26.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -132.17 25.05 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HD23 ' A' ' 52' ' ' LEU . 2.4 tt -179.45 179.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.593 HG13 HD11 ' A' ' 53' ' ' LEU . 44.2 mt -147.59 105.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.7 t -98.58 167.27 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 24.5 p90 -153.81 118.39 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 12.5 m-85 -107.42 152.91 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.7 t -49.58 -43.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.61 179.3 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.9 pt-20 -84.65 33.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.2 -23.05 12.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.2 mt 62.8 42.96 7.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -111.19 -46.41 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.52 87.86 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -75.49 136.58 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 30.2 mmtt -89.43 -47.4 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.71 -151.04 7.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -160.12 137.54 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 81' ' ' PHE . 24.0 mt -107.45 94.98 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD23 HD11 ' A' ' 35' ' ' ILE . 26.2 mt -57.22 112.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD11 HG13 ' A' ' 36' ' ' ILE . 33.9 mt -79.47 138.25 37.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ASN . 29.0 t70 -159.83 148.42 17.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 3.1 pt-20 -34.37 -35.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 4.6 m-80 -63.92 -56.98 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.65 148.25 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.8 p -162.34 157.16 22.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 95' ' ' ILE . 10.6 p -107.02 147.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.56 155.82 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 p -97.4 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.55 HD11 ' CB ' ' A' ' 73' ' ' LEU . 48.5 mt -119.75 142.88 33.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.85 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.56 126.73 35.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HE3' HD13 ' A' ' 71' ' ' LEU . 11.4 ptpt -123.19 -46.72 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -110.17 58.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.83 36.8 92.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.8 mmtm -104.71 -176.32 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 3.1 mptp? -132.75 -58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.47 86.97 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 68' ' ' LYS . 7.7 mt -101.46 151.72 21.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -155.49 133.79 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.55 ' CB ' HD11 ' A' ' 62' ' ' LEU . 6.2 tt -116.77 142.43 46.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -104.56 128.53 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.638 ' HD3' HG22 ' A' ' 80' ' ' THR . 2.5 mmtp -106.23 150.4 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -143.1 175.7 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 56' ' ' ASN . 11.0 m-85 -33.73 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -117.8 -29.87 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -82.3 155.68 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.638 HG22 ' HD3' ' A' ' 75' ' ' LYS . 8.5 p -138.91 136.5 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.678 ' CD2' HD11 ' A' ' 51' ' ' ILE . 3.2 m-85 -126.25 143.49 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -126.28 132.92 51.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.6 mt -136.46 148.38 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 t -120.09 149.59 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.82 156.56 30.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -95.95 -48.07 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -108.38 139.03 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -45.99 -44.6 15.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -46.64 -55.78 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.47 -61.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 2.6 tmtt? -43.13 -67.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -49.02 -67.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 43.0 m95 -46.29 -63.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.538 HG23 ' CG1' ' A' ' 59' ' ' VAL . 6.8 mt -48.58 -41.08 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.5 -49.79 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.53 69.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.554 HG23 HD11 ' A' ' 36' ' ' ILE . 62.7 mt -58.12 -57.76 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -48.26 -56.61 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 m -57.89 -46.24 85.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.5 m -52.78 -32.1 41.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.69 -41.3 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -50.11 -41.09 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.2 mt -57.95 -31.53 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.4 mt -78.15 -21.16 50.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.448 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 81.2 mttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.625 HG22 ' CG1' ' A' ' 30' ' ' VAL . 41.5 t . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 33' ' ' PRO . 51.1 mt -77.48 -60.45 2.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -126.67 153.98 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.73 135.85 9.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.35 168.62 40.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.67 101.75 12.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 110.969 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.526 ' HE2' ' CB ' ' A' ' 29' ' ' PHE . 53.7 mtm -110.24 162.02 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtp -109.65 110.7 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -103.85 147.86 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 12.2 ttpp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.421 ' CE3' ' OG ' ' A' ' 84' ' ' SER . 61.4 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.826 0.346 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 p -138.93 123.41 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.52 144.73 46.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 28.0 mtm-85 -165.1 143.56 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 52.2 t-105 -71.11 135.98 47.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CB ' ' HE2' ' A' ' 14' ' ' MET . 10.6 m-85 -121.06 148.91 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.625 ' CG1' HG22 ' A' ' 8' ' ' VAL . 51.4 t -131.34 101.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 36' ' ' ILE . 29.7 tp -81.26 100.83 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.574 ' CB ' HG22 ' A' ' 35' ' ' ILE . 1.4 mmpt? -87.88 161.89 42.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.77 -22.85 31.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.616 2.21 . . . . 0.0 112.387 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -135.04 23.92 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.3 tt 179.93 177.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.423 HG12 HD12 ' A' ' 31' ' ' LEU . 43.2 mt -150.33 104.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 19.7 m -113.74 144.79 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 7.2 p90 -128.26 123.17 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -100.56 153.06 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -43.41 -41.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.43 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 3.9 m -140.55 -176.0 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.75 34.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -104.8 -26.18 12.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt 63.61 41.84 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -112.67 -44.21 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.41 92.37 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -75.25 144.58 42.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.56 -44.1 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -172.18 -159.75 19.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -154.12 135.42 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.669 HD11 ' CD2' ' A' ' 81' ' ' PHE . 69.0 mt -107.85 102.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.2 104.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 20.9 mt -70.33 139.03 51.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.3 m-20 -161.89 146.86 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 9.8 pt-20 -34.42 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.8 m120 -58.13 -57.14 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' O ' HD13 ' A' ' 102' ' ' ILE . 99.7 m -56.86 147.77 22.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.5 m -160.74 159.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG1' HG23 ' A' ' 95' ' ' ILE . 5.4 p -107.52 141.65 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.09 159.23 41.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.0 p -89.97 143.83 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 73' ' ' LEU . 20.1 mt -115.91 151.09 46.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -165.12 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.27 126.89 41.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.69 157.48 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 t70 44.71 34.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.33 45.64 94.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' CB ' HD11 ' A' ' 71' ' ' LEU . 27.1 mmtt -117.75 158.26 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.72 143.74 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.0 m 62.12 49.14 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.536 HD11 ' CB ' ' A' ' 68' ' ' LYS . 8.9 mt -85.79 145.87 27.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.0 p90 -146.88 136.34 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.943 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -123.82 151.3 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.8 t -108.38 128.43 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -104.87 117.39 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.65 176.7 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.0 m-85 -28.55 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -125.24 -31.18 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 19.9 mtmt -82.1 153.66 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -135.18 151.39 50.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 51' ' ' ILE . 24.7 m-85 -134.31 114.23 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -100.36 109.65 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.2 mt -115.24 152.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.421 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 2.5 p -125.53 133.1 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.28 178.12 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -111.91 -56.33 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -102.83 145.83 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -49.77 -44.26 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -53.4 -44.46 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -64.13 -59.92 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.28 -61.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 47.1 tt0 -55.47 -67.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.6 mm-40 -37.46 -50.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.45 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 37.6 m95 -55.92 -58.26 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.505 HG23 ' CG1' ' A' ' 59' ' ' VAL . 24.7 mt -53.66 -55.2 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -54.63 -44.62 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.2 -54.27 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.412 HG12 HD13 ' A' ' 31' ' ' LEU . 27.8 mt -58.18 -51.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -51.67 -52.85 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.1 m -59.55 -51.1 71.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.9 m -48.28 -41.41 27.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 57' ' ' CYS . 53.3 mt -63.63 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -59.39 -39.08 82.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.76 -25.64 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.06 -31.3 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 27.4 mttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 33' ' ' PRO . 16.3 mt -89.6 -57.33 2.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.9 tttp -127.72 159.75 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.32 136.42 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.63 164.85 33.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -85.51 102.97 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.519 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 29.3 mtm -109.88 155.99 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.67 ' HE2' ' C ' ' A' ' 24' ' ' TRP . 22.4 mtp -104.47 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.23 152.47 19.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.515 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 34.4 tttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.67 ' C ' ' HE2' ' A' ' 15' ' ' MET . 93.5 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.552 ' N ' ' HE2' ' A' ' 15' ' ' MET . 8.9 t -138.34 137.52 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -70.96 103.35 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -121.35 132.19 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -63.78 144.03 57.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.8 m-85 -130.26 144.39 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -127.6 96.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HG ' HD12 ' A' ' 9' ' ' LEU . 23.7 tp -71.95 100.24 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.638 ' CB ' HG22 ' A' ' 35' ' ' ILE . 41.9 mmtt -81.3 163.48 54.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.548 0.69 . . . . 0.0 110.92 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.762 ' HA ' HD11 ' A' ' 9' ' ' LEU . 54.0 Cg_endo -69.76 -27.15 26.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' PRO . 1.5 m-20 -133.73 25.16 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.671 HD11 HD23 ' A' ' 52' ' ' LEU . 1.7 tt -178.61 -178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -148.7 104.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 m -113.88 145.33 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 9.3 p90 -124.77 140.25 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 23.1 m-85 -117.85 156.75 27.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.7 t -46.67 -48.61 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -133.98 -174.93 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -84.18 34.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -107.15 -29.31 9.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 16.4 mt 67.03 45.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 -40.33 3.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -112.24 85.33 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 29.0 ttpt -63.04 150.73 41.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -108.54 -43.34 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.91 -168.12 37.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -148.06 145.67 28.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 38.6 mt -116.85 98.05 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.671 HD23 HD11 ' A' ' 35' ' ' ILE . 45.2 mt -51.96 112.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.72 132.86 36.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -154.25 147.05 24.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 6.2 pt-20 -34.43 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.3 m-80 -60.0 -52.64 64.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.429 ' O ' HG21 ' A' ' 102' ' ' ILE . 90.8 m -52.74 133.43 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.1 m -141.41 159.92 41.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.7 p -118.92 140.45 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -133.19 159.52 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -102.42 120.5 40.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 73' ' ' LEU . 17.9 mt -93.01 150.91 40.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.78 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.367 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.95 115.69 28.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 147.65 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 52.3 36.88 20.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.51 46.79 74.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.619 ' CB ' HD11 ' A' ' 71' ' ' LEU . 35.4 mmtt -121.14 166.32 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -148.51 143.35 26.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.17 49.67 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' CB ' ' A' ' 68' ' ' LYS . 12.2 mt -88.76 139.76 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.591 ' HB3' HD11 ' A' ' 95' ' ' ILE . 33.9 p90 -140.38 129.92 24.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.7 tt -115.5 142.39 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.5 132.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.16 144.23 44.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.9 m -132.29 176.73 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 10.6 m-85 -30.25 -70.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.83 -29.33 4.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.422 ' NZ ' ' HB2' ' A' ' 79' ' ' LYS . 1.3 mtmp? -84.28 153.31 23.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.9 p -139.28 149.64 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 22.9 m-85 -139.52 145.83 39.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.71 125.64 38.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 6.6 mt -130.86 147.07 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 15' ' ' MET . 97.8 p -116.64 132.09 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.06 163.48 16.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.4 p -88.14 -33.96 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.34 175.57 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.74 -36.93 77.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -55.52 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -54.0 -53.26 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -66.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' GLU . 6.1 tp60 -56.77 -64.97 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' GLN . 29.7 mt-10 -37.34 -51.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.479 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 29.3 m95 -61.16 -66.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 72' ' ' PHE . 8.5 mt -42.06 -54.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.91 -39.26 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -55.16 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 mt -56.65 -45.37 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.49 -48.73 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 m -64.18 -49.1 73.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.0 m -49.71 -44.34 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 57' ' ' CYS . 29.1 mt -69.09 -43.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 -48.26 -39.22 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.4 mt -60.14 -37.97 81.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 54' ' ' ASP . 29.7 mt -67.18 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.7 mttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.812 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 30' ' ' VAL . 93.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.883 0.373 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 33' ' ' PRO . 41.0 mt -78.38 -57.29 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.5 tttp -127.97 156.84 42.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -158.52 136.85 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.85 159.65 20.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.557 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -74.43 121.58 21.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.44 ' CE ' HG21 ' A' ' 83' ' ' ILE . 67.0 mtm -131.68 148.77 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.0 mtp -92.35 114.09 26.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -102.78 128.97 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.509 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 39.9 tttm . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.5 m95 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -124.39 135.2 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.6 133.88 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -152.69 159.3 43.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.536 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 38.6 t-105 -82.33 136.8 34.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 12.3 m-85 -125.51 127.76 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 8' ' ' VAL . 98.9 t -113.16 102.52 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.515 HD13 HG12 ' A' ' 98' ' ' ILE . 17.8 tp -79.76 100.08 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' CB ' HG22 ' A' ' 35' ' ' ILE . 42.2 mmtt -82.54 163.57 51.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.82 -24.59 29.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 24.36 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.603 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.02 178.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.674 HG13 HD11 ' A' ' 53' ' ' LEU . 62.3 mt -148.56 104.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 21.3 m -112.66 132.87 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 3.0 p90 -116.34 116.81 28.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 39.9 m-85 -92.58 141.34 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.54 -24.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -130.55 169.77 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.3 pt-20 -90.28 30.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -113.27 -15.19 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 23.8 mt 67.75 29.56 6.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -93.79 -42.36 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.01 107.77 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 21.1 ttpt -87.02 130.24 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.63 -43.32 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.82 -160.56 19.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.47 150.52 28.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.776 HD11 ' CD2' ' A' ' 81' ' ' PHE . 34.6 mt -126.02 94.67 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 35' ' ' ILE . 37.0 mt -53.96 105.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.674 HD11 HG13 ' A' ' 36' ' ' ILE . 34.6 mt -76.73 133.61 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.2 t70 -162.94 150.65 13.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 54' ' ' ASP . 15.7 pt-20 -28.91 -42.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.9 m-80 -57.36 -55.9 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' ASP . 69.2 m -57.63 148.34 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.532 ' O ' HG13 ' A' ' 74' ' ' VAL . 31.5 p -161.59 165.88 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.45 138.17 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -126.95 143.57 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.6 p -82.51 122.0 27.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.657 HD11 ' CB ' ' A' ' 73' ' ' LEU . 91.3 mt -97.49 153.81 38.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' O ' HD12 ' A' ' 71' ' ' LEU . 54.0 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.84 108.89 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HD3' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -142.42 150.65 40.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 72.72 34.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.22 48.75 62.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG3' HD11 ' A' ' 71' ' ' LEU . 66.4 mmtt -115.56 176.82 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.5 mptp? -130.86 -46.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 m -134.22 97.89 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 65' ' ' LYS . 33.4 mt -106.72 168.03 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.533 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 14.9 p90 -175.1 133.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.657 ' CB ' HD11 ' A' ' 62' ' ' LEU . 2.8 tt -125.81 155.41 41.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 58' ' ' CYS . 56.7 t -111.06 128.33 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -100.73 118.77 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -112.57 176.8 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.8 m-85 -28.39 -74.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -125.04 -24.9 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -87.67 155.14 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.439 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 64.3 p -132.47 160.83 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.776 ' CD2' HD11 ' A' ' 51' ' ' ILE . 32.6 m-85 -147.12 113.41 5.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.55 ' OE2' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -98.32 126.39 43.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.533 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 12.8 mt -130.29 142.93 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t -114.21 146.44 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.35 147.21 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -75.43 -58.62 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -113.4 145.1 41.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -41.95 -42.47 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -56.74 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -59.77 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -42.03 -65.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 93' ' ' GLU . 20.8 tt0 -51.63 -70.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' GLN . 9.7 mm-40 -37.01 -56.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.506 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 40.2 m95 -50.4 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.7 mt -44.85 -47.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.45 -44.61 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 -55.97 16.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.515 HG12 HD13 ' A' ' 31' ' ' LEU . 28.4 mt -56.04 -52.86 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -49.94 -55.43 14.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.9 m -57.52 -42.1 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.2 m -53.31 -42.25 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.51 -33.88 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -53.56 -36.07 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.2 mt -71.58 -34.92 70.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 54' ' ' ASP . 4.8 mt -62.6 -25.51 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.48 ' HG3' ' CB ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.66 HG21 HG13 ' A' ' 30' ' ' VAL . 7.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.5 -49.12 5.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 11.6 tttp -129.45 152.44 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.92 134.47 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.64 152.01 10.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -66.48 106.45 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.437 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 56.6 mtm -112.95 151.71 30.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.8 mtp -91.41 112.35 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' NZ ' ' CE2' ' A' ' 38' ' ' TYR . 21.2 tttt -100.62 118.58 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 16.7 ttpp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.514 ' CZ2' ' HB2' ' A' ' 17' ' ' LYS . 77.3 m95 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -149.06 140.17 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.6 150.95 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -167.38 145.59 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 55.7 t-105 -72.62 132.12 43.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 12.9 m-85 -117.71 139.93 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 HG21 ' A' ' 8' ' ' VAL . 53.9 t -124.87 90.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.527 HD13 HG12 ' A' ' 98' ' ' ILE . 9.8 tp -70.94 106.01 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' CB ' HG22 ' A' ' 35' ' ' ILE . 2.4 mptt -91.12 165.44 21.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -25.64 28.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -134.73 25.48 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.59 HG22 ' CB ' ' A' ' 32' ' ' LYS . 4.7 tt -179.32 174.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -149.43 105.27 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 p -103.92 170.12 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 4.3 p90 -148.45 125.43 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -111.29 134.88 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' CG1' ' HD3' ' A' ' 48' ' ' LYS . 11.5 m -47.53 -19.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -140.66 172.44 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 12.4 pt-20 -90.08 27.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -104.33 -12.1 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.2 mt 58.02 37.78 26.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -110.46 -40.8 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -105.34 90.96 3.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.9 141.49 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.6 mmmt -103.11 -17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.93 -165.21 35.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -152.71 140.11 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 12.9 mt -105.71 93.91 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 35' ' ' ILE . 17.9 mt -55.38 105.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.567 HD22 HG12 ' A' ' 102' ' ' ILE . 12.8 mt -71.21 147.36 48.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HA ' HD13 ' A' ' 105' ' ' LEU . 19.0 t70 -174.04 148.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -34.37 -39.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.466 ' N ' ' OE2' ' A' ' 55' ' ' GLU . 3.8 m120 -57.54 -54.53 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.14 155.14 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 p -166.43 156.78 12.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.6 147.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -137.27 149.62 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 m -97.18 126.3 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 73' ' ' LEU . 19.3 mt -109.86 146.44 34.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -168.94 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.12 110.82 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HB3' HD13 ' A' ' 71' ' ' LEU . 14.4 ttmm -109.33 141.5 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 16.3 t70 34.66 46.34 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.49 55.98 7.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.654 ' CB ' HD11 ' A' ' 71' ' ' LEU . 15.2 mmtp -130.0 174.1 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -147.65 152.51 37.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.5 m 46.04 53.57 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.654 HD11 ' CB ' ' A' ' 68' ' ' LYS . 2.8 mt -86.84 166.14 15.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 28.5 p90 -167.66 134.99 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 62' ' ' LEU . 4.2 tt -127.94 147.29 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.35 128.46 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -104.14 122.47 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -113.93 176.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 12.5 m-85 -28.48 -72.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -125.31 -28.34 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -84.36 152.71 23.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 31.9 p -131.07 159.37 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.9 m-85 -145.03 122.05 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' CD ' ' HE3' ' A' ' 17' ' ' LYS . 7.8 tt0 -110.64 120.31 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.4 mt -126.31 151.43 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.9 t -122.61 131.59 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.29 158.56 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -81.97 -59.03 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -118.37 167.12 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.23 -32.41 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.52 -60.24 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.6 mptm? -54.59 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LYS . 7.4 tmtt? -36.39 -64.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' TRP . 1.9 tp-100 -62.36 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' GLN . 32.3 mm-40 -37.66 -31.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.44 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 34.5 m95 -79.77 -65.75 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.419 HD11 ' CB ' ' A' ' 72' ' ' PHE . 11.4 mt -45.83 -42.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -58.29 -52.83 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.21 60.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.527 HG12 HD13 ' A' ' 31' ' ' LEU . 30.5 mt -57.16 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -43.36 -57.19 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 t -55.86 -53.13 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.0 m -43.82 -43.12 6.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.567 HG12 HD22 ' A' ' 53' ' ' LEU . 54.0 mt -71.21 -47.3 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -45.75 -41.84 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.6 mt -57.25 -33.42 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 54' ' ' ASP . 20.8 mt -73.22 -34.92 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 76.4 mttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.834 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.794 ' CG2' HG13 ' A' ' 30' ' ' VAL . 7.1 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 33' ' ' PRO . 9.1 mt -79.09 -51.29 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 26.8 tttp -124.84 156.8 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 pt20 -158.58 132.89 7.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 176.67 145.67 5.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.3 118.06 8.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.378 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.1 mtm -127.98 151.94 48.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 mtp -95.7 118.01 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -103.16 139.54 38.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.9 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.6 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.0 p -141.07 135.79 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.1 149.91 47.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -165.93 141.35 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 45.7 t-105 -67.39 135.69 53.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.67 130.95 53.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.794 HG13 ' CG2' ' A' ' 8' ' ' VAL . 97.8 t -116.45 95.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.548 HD12 HG12 ' A' ' 36' ' ' ILE . 37.3 tp -75.33 97.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.604 ' CB ' HG22 ' A' ' 35' ' ' ILE . 35.4 mmtt -79.6 163.8 56.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.74 -25.46 28.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -134.95 25.58 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.604 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.74 178.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.548 HG12 HD12 ' A' ' 31' ' ' LEU . 67.3 mt -149.38 104.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.1 m -108.57 154.3 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 11.5 p90 -130.75 127.91 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.5 m-85 -110.74 124.19 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -33.61 -33.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' TYR . 7.5 t -124.88 -175.03 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.0 pt-20 -104.36 28.86 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -101.46 -11.17 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt 60.08 33.56 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -109.31 -41.9 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.9 t0 -104.53 107.48 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 30.4 ttpt -100.6 144.6 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 48.1 mmtt -101.32 -45.53 5.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.18 -179.03 41.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.51 133.51 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.568 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 16.5 mt -97.55 97.74 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.8 mt -54.84 108.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 mt -76.02 150.12 37.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' GLU . 1.2 p30 -172.5 148.82 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 8.5 pt-20 -33.76 -51.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 m120 -49.75 -53.66 23.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.619 ' O ' HD13 ' A' ' 102' ' ' ILE . 62.0 m -54.74 139.61 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.7 t -153.95 169.64 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 95' ' ' ILE . 7.2 p -120.48 150.02 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -133.55 162.53 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -102.99 113.15 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 73' ' ' LEU . 19.1 mt -87.62 149.94 47.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -168.79 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -83.65 128.13 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.25 158.71 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 50.01 41.04 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.87 54.12 33.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HZ3' ' CB ' ' A' ' 84' ' ' SER . 32.9 mmtp -134.41 169.74 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -131.75 -41.31 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m -121.6 91.49 3.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 84' ' ' SER . 22.0 mt -113.24 153.27 28.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' ILE . 24.3 p90 -157.72 134.08 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 82' ' ' GLU . 4.6 tt -125.59 149.51 48.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.88 128.63 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -105.45 122.36 45.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.5 176.63 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.0 m-85 -30.1 -71.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -125.47 -26.01 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -84.48 151.1 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.407 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 34.7 p -133.06 154.92 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 32.8 m-85 -145.41 109.2 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.843 ' HB2' HD12 ' A' ' 73' ' ' LEU . 21.9 tt0 -94.33 119.79 33.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' PHE . 12.5 mt -121.29 151.03 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.435 ' HA ' HD23 ' A' ' 71' ' ' LEU . 31.6 t -116.28 141.0 48.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.96 160.65 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.8 t -87.2 -56.71 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.11 157.23 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -41.04 -38.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -51.25 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -53.42 -57.09 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HD3' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -45.82 -63.51 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 26.0 tt0 -58.66 -65.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 23.3 mm-40 -37.72 -55.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.511 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -56.03 -57.04 13.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.436 HG23 ' CG1' ' A' ' 59' ' ' VAL . 14.4 mt -50.05 -54.72 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -54.92 -42.8 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.87 -57.52 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.445 HG12 HD13 ' A' ' 31' ' ' LEU . 60.5 mt -57.83 -55.06 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -47.57 -56.67 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -57.47 -47.63 81.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -48.14 -37.69 16.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 57' ' ' CYS . 33.1 mt -68.11 -43.25 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -51.1 -40.26 58.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.27 -34.89 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.45 -32.88 68.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 61.8 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 30' ' ' VAL . 90.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -87.36 -54.46 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.9 tttp -124.11 153.17 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -158.46 127.84 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.63 162.86 33.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 4.5 m-85 -81.89 112.4 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.488 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 71.0 mtm -121.63 157.2 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mtp -97.18 122.13 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -111.02 128.32 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.1 tttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 95.4 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.7 p -141.99 140.35 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 1.5 tp10 -73.12 137.09 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -148.27 141.45 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -77.1 125.08 28.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -108.94 148.02 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 8' ' ' VAL . 98.6 t -133.08 87.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.07 98.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.633 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.2 mmtp -81.18 163.15 56.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.854 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.547 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.75 -25.67 28.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.244 . . . . 0.0 112.399 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.01 26.35 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.638 HD11 HD23 ' A' ' 52' ' ' LEU . 2.4 tt -179.91 179.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG13 HD11 ' A' ' 53' ' ' LEU . 61.5 mt -148.83 105.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -108.86 170.04 8.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -150.07 117.52 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 9.3 m-85 -91.88 147.53 22.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 40' ' ' VAL . 2.3 p -56.79 -16.56 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -150.16 174.84 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -87.54 28.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.16 -13.33 17.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 20.7 mt 52.71 50.26 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -129.2 -38.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 40' ' ' VAL . 3.8 m-20 -106.52 85.03 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.545 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 7.9 ttmt -63.86 142.92 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.59 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 50' ' ' ASP . . . -169.56 -152.66 8.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -163.07 137.32 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 81' ' ' PHE . 89.5 mt -114.67 89.9 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 35' ' ' ILE . 26.4 mt -51.67 105.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 HG13 ' A' ' 36' ' ' ILE . 13.7 mt -71.62 142.65 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HA ' HD13 ' A' ' 105' ' ' LEU . 10.8 t70 -167.24 153.09 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 5.2 pt-20 -37.68 -50.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -49.93 -47.29 52.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.505 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 93.2 m -64.76 140.19 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 74' ' ' VAL . 23.0 m -156.29 165.26 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.728 HG11 HG23 ' A' ' 95' ' ' ILE . 6.7 p -105.58 149.33 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.5 125.32 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 p -74.43 129.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' ' 73' ' ' LEU . 62.8 mt -119.62 142.41 32.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.594 0.712 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.44 117.09 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.864 ' HD3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.36 -27.48 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' LYS . 10.8 t0 -128.51 76.61 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 35.32 30.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.717 ' HB2' HD11 ' A' ' 71' ' ' LEU . 23.2 mmtm -116.0 169.89 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -137.72 143.07 41.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.8 m 61.79 50.15 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' A' ' 65' ' ' LYS . 6.8 mt -82.74 150.31 26.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 46.8 p90 -151.09 135.21 16.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.648 ' HB3' HD11 ' A' ' 62' ' ' LEU . 5.1 tt -122.22 142.8 50.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 58' ' ' CYS . 92.3 t -104.7 135.27 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -110.72 130.72 55.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -124.51 176.42 6.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.6 m-85 -31.4 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -123.71 -28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -81.95 151.55 27.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.0 p -134.41 147.14 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.675 ' CD2' HD11 ' A' ' 51' ' ' ILE . 40.8 m-85 -137.67 130.38 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -117.73 125.41 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 7.3 mt -128.94 156.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.3 p -115.71 154.77 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 91' ' ' LYS . . . -120.02 152.24 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -82.24 -54.62 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.97 175.03 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -61.82 -30.93 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -61.52 -64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -47.4 -60.14 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.69 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' GLU . 29.5 tt0 -55.39 -65.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' GLN . 36.7 mt-10 -37.55 -44.65 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -66.93 -58.98 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.728 HG23 HG11 ' A' ' 59' ' ' VAL . 4.8 mt -51.88 -56.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -49.99 -41.67 47.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.65 -62.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 36' ' ' ILE . 18.1 mt -50.77 -52.75 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.28 -52.64 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.3 m -60.2 -48.42 81.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.1 m -49.07 -42.19 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 57' ' ' CYS . 38.7 mt -66.06 -47.46 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -42.91 -44.19 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.81 -36.6 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 54' ' ' ASP . 28.7 mt -75.42 -32.74 60.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 69.2 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.589 ' HB ' HG13 ' A' ' 30' ' ' VAL . 1.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.859 0.362 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 33' ' ' PRO . 7.4 mt -89.7 -51.35 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -122.35 153.68 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -158.85 132.64 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.38 170.88 44.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.7 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.954 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtm -114.49 151.47 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -98.88 112.38 24.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -96.91 142.91 28.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.7 tttp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.507 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 89.3 m95 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -133.44 138.92 46.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.35 131.27 40.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -145.78 144.84 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 33.8 t-105 -74.51 138.95 43.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 21.7 m-85 -127.5 136.85 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.589 HG13 ' HB ' ' A' ' 8' ' ' VAL . 44.2 t -120.37 94.4 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.1 96.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.642 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.9 mmtp -80.25 163.06 59.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.571 0.701 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.76 -26.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 27.44 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.642 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt 179.75 179.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.63 HG13 HD11 ' A' ' 53' ' ' LEU . 30.0 mt -148.71 105.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -112.41 133.9 54.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 6.7 p90 -119.18 116.76 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -91.17 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.6 -28.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -137.57 171.05 15.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.5 pt-20 -87.3 23.83 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.0 -21.6 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.5 mt 70.52 42.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -108.59 -47.53 3.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.69 98.26 6.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.92 138.44 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -79.74 -40.12 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.63 -169.6 42.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.548 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.05 143.46 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.574 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 86.1 mt -121.64 96.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.6 mt -59.87 109.79 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 36' ' ' ILE . 33.2 mt -79.7 142.41 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.7 t70 -170.81 152.59 3.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 16.9 pt-20 -32.68 -43.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 2.2 m-80 -55.92 -58.54 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.421 ' O ' HD13 ' A' ' 102' ' ' ILE . 87.3 m -58.95 143.44 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.545 ' O ' HG13 ' A' ' 74' ' ' VAL . 28.7 p -157.27 158.36 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.479 HG23 HG22 ' A' ' 74' ' ' VAL . 9.2 p -112.5 140.22 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -132.91 166.19 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.7 p -96.87 140.7 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.949 HD11 ' HB2' ' A' ' 73' ' ' LEU . 28.7 mt -110.91 153.5 43.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -173.03 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.14 119.71 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 12.0 ptpt -147.35 166.13 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 t70 41.43 41.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.02 51.08 58.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HG3' HD11 ' A' ' 71' ' ' LEU . 37.9 mmtm -117.84 174.76 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -133.86 -41.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.5 m -132.71 97.67 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 68' ' ' LYS . 15.6 mt -113.61 158.24 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.625 ' HB3' HD11 ' A' ' 95' ' ' ILE . 32.2 p90 -159.09 129.98 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.949 ' HB2' HD11 ' A' ' 62' ' ' LEU . 7.8 tt -117.89 146.72 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 58' ' ' CYS . 86.3 t -112.26 128.44 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.57 ' HD2' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -103.44 136.11 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.4 176.11 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 14.2 m-85 -33.28 -72.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -120.33 -31.95 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 166.18 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.5 p -142.06 161.2 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 80.2 m-85 -149.36 126.56 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -113.54 120.87 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 23.3 mt -123.14 154.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.459 ' N ' HG22 ' A' ' 83' ' ' ILE . 44.1 t -124.12 135.24 53.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -101.25 154.6 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -76.75 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -114.74 159.77 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 15.8 ptpt -48.74 -36.76 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 33.1 tttt -54.07 -64.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -52.77 -49.72 64.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 6.9 tmtt? -48.93 -57.21 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.33 -65.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -40.95 -47.9 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -62.96 -62.35 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 72' ' ' PHE . 15.2 mt -47.82 -57.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.37 -50.94 68.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.11 -48.6 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.11 -48.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -48.34 -57.9 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.5 t -56.51 -44.97 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.1 m -47.57 -40.84 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 57' ' ' CYS . 19.5 mt -74.52 -45.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -44.78 -49.18 10.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.2 mt -49.14 -36.03 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 mt -74.92 -39.59 61.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.483 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 85.1 mttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.707 ' CG2' HG13 ' A' ' 30' ' ' VAL . 5.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 mt -79.07 -45.11 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 28.8 tttm -129.17 155.67 45.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 4.2 pt20 -158.52 134.45 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.67 147.29 6.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.451 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 15.2 m-85 -64.76 112.12 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . 0.552 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 24.6 mtm -115.89 163.03 16.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.4 mtp -111.52 111.82 23.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -101.72 137.95 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 33.3 tttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 70.0 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.359 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -147.98 136.86 21.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 12.1 tt0 -77.69 142.02 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -157.45 137.19 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 53.9 t-105 -67.44 114.64 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 15.6 m-85 -100.17 123.32 44.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG13 ' CG2' ' A' ' 8' ' ' VAL . 95.1 t -109.43 96.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 36' ' ' ILE . 46.5 tp -72.21 112.67 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.62 ' CB ' HG22 ' A' ' 35' ' ' ILE . 25.3 mmtt -96.59 163.68 19.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.544 0.688 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.0 Cg_endo -69.76 -26.19 27.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -135.01 26.95 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.62 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.1 tt 179.83 178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.576 HG12 HD12 ' A' ' 31' ' ' LEU . 87.6 mt -149.29 105.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.8 p -104.31 169.32 8.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.11 117.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 56.0 m-85 -103.67 125.01 49.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -34.5 -32.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.6 t -126.09 176.18 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 20.4 pt-20 -97.33 31.51 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.04 -8.83 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt 57.82 37.01 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -110.31 -46.0 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.0 t0 -103.34 113.36 26.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -101.19 147.12 26.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -106.56 -40.94 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.99 -172.94 37.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -146.8 131.3 17.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.806 0.336 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 33.3 mt -99.4 94.24 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 35' ' ' ILE . 19.7 mt -55.86 108.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 35' ' ' ILE . 19.4 mt -72.23 128.68 36.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HA ' HD13 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -139.15 141.34 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' ASP . 16.6 pt-20 -33.69 -40.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 5.3 m120 -62.77 -55.66 24.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' O ' HD13 ' A' ' 102' ' ' ILE . 52.2 m -42.99 146.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.458 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.2 t -157.53 165.05 36.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 95' ' ' ILE . 7.3 p -122.42 144.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -136.3 164.69 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.5 p -103.72 133.0 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD11 ' CB ' ' A' ' 73' ' ' LEU . 63.1 mt -113.85 146.1 34.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.518 ' O ' HD12 ' A' ' 71' ' ' LEU . 53.6 Cg_endo -69.72 -169.01 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.36 125.66 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 9.2 ptpp? -118.58 -39.53 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 t70 -134.25 78.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 47.97 44.99 25.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HG3' HD21 ' A' ' 71' ' ' LEU . 55.8 mmtt -109.54 176.89 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.23 -55.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 91' ' ' LYS . 53.2 m -124.76 92.44 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 63' ' ' PRO . 15.6 mt -100.6 156.99 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.484 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 32.3 p90 -158.34 132.13 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 62' ' ' LEU . 7.0 tt -120.39 153.86 35.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 58' ' ' CYS . 95.2 t -114.37 128.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -108.62 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -112.32 176.43 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 12.3 m-85 -31.45 -68.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.28 -32.7 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.33 160.05 22.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 45.9 p -143.7 159.01 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 23.7 m-85 -143.91 129.71 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -111.72 122.74 48.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 14.3 mt -130.13 152.61 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 83' ' ' ILE . 34.0 t -124.12 135.82 53.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.95 154.69 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.6 t -89.3 -48.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.39 147.7 28.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -55.39 -43.99 75.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -56.77 -38.73 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' CE ' ' HE1' ' A' ' 94' ' ' TRP . 14.2 mtpt -62.81 -58.47 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' CB ' ' HB3' ' A' ' 70' ' ' CYS . 8.4 tmtt? -46.61 -59.69 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -55.63 -58.94 5.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -45.08 -59.73 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 43.5 m95 -46.48 -62.69 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.617 HG23 HG13 ' A' ' 59' ' ' VAL . 16.6 mt -49.29 -49.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -56.57 -42.96 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.18 -56.46 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.7 mt -55.21 -50.77 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -50.25 -50.36 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.48 ' CG2' HD13 ' A' ' 53' ' ' LEU . 61.4 m -50.62 -48.51 57.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 57' ' ' CYS . 37.4 mt -61.49 -47.22 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -43.17 -40.66 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.26 -37.87 72.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 54' ' ' ASP . 14.7 mt -67.48 -34.24 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 70.3 mttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.836 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.571 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.7 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.09 -47.99 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 19.8 tttp -123.51 155.52 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.6 137.26 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.91 165.53 34.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 26' ' ' GLU . 4.9 m-85 -82.33 102.2 11.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 mtm -110.23 154.43 23.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 24' ' ' TRP . 74.7 mtp -102.73 115.2 30.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -99.52 127.12 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 20.0 tttm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 98.8 m95 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.84 0.352 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -134.09 136.83 44.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 32.3 tt0 -72.09 100.48 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -116.67 132.08 56.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.5 t-105 -63.44 130.49 44.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -118.31 129.8 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG13 ' CG2' ' A' ' 8' ' ' VAL . 84.7 t -114.73 95.02 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.47 100.63 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.5 mmtp -83.72 162.51 52.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.541 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.79 -24.81 29.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.25 25.12 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.624 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.9 tt -179.78 178.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.478 HG13 HD11 ' A' ' 53' ' ' LEU . 44.1 mt -148.22 105.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -104.51 170.44 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.28 116.46 5.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 47' ' ' LYS . 53.5 m-85 -100.8 151.11 22.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -42.31 -48.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -131.86 -174.82 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.13 33.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -34.4 11.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.6 mt 69.85 41.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -118.79 -40.48 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.72 105.73 14.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 16.0 ttmt -81.7 152.53 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -113.75 -34.79 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -177.29 165.88 36.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.04 124.32 34.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 43.1 mt -97.84 97.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.51 109.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 36' ' ' ILE . 25.9 mt -77.1 134.97 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.4 p-10 -156.11 147.3 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' ASP . 7.1 pt-20 -34.5 -39.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -57.09 -58.97 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.407 ' O ' HD13 ' A' ' 102' ' ' ILE . 59.0 m -54.01 153.44 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.6 t -162.41 163.23 27.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.53 137.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -132.25 145.82 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -83.09 136.56 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 73' ' ' LEU . 69.7 mt -102.1 153.99 37.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -169.8 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.07 110.06 21.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 9.5 ptpt -135.77 174.23 10.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 28.5 t70 36.66 37.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.84 56.34 23.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.69 ' HG3' HD11 ' A' ' 71' ' ' LEU . 38.2 mmtm -118.92 -178.09 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -134.29 -44.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.7 m -132.45 96.41 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 68' ' ' LYS . 33.1 mt -112.0 147.98 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 7.7 p90 -148.33 131.21 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' ' 82' ' ' GLU . 5.2 tt -124.49 149.95 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 58' ' ' CYS . 89.3 t -105.0 128.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -103.43 115.78 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.518 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.9 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 76' ' ' CYS . 7.4 m-85 -28.49 -73.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.41 -27.71 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 34.8 mttt -83.5 149.47 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.7 p -128.14 157.27 41.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 64.7 m-85 -142.0 109.65 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HB2' HD12 ' A' ' 73' ' ' LEU . 37.2 tt0 -96.63 116.82 29.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.551 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.7 mt -124.22 152.63 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.2 t -124.6 132.5 53.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -94.0 177.85 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -92.06 -52.6 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -138.13 167.64 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -45.2 -42.06 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -51.62 -59.96 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 6.6 tmtt? -45.36 -60.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.6 tp60 -55.82 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 12.1 mm-40 -37.6 -56.28 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.447 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.4 m95 -52.0 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD11 ' CB ' ' A' ' 72' ' ' PHE . 18.4 mt -45.78 -53.17 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -54.9 -41.25 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.63 57.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.85 -55.32 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -47.88 -55.31 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.0 t -58.56 -42.67 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.454 ' CG2' HD13 ' A' ' 53' ' ' LEU . 34.4 m -51.94 -40.03 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 57' ' ' CYS . 56.5 mt -73.3 -40.47 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -55.08 -39.8 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.01 -31.65 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.23 -32.94 67.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 mttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.853 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -130.24 118.83 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -132.89 109.6 9.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.94 75.94 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -120.96 124.07 44.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 m -125.33 138.13 54.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.43 -158.86 27.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG21 HG13 ' A' ' 30' ' ' VAL . 6.7 p -91.43 146.53 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 33' ' ' PRO . 32.8 mt -92.42 -49.07 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.619 ' HB2' HD23 ' A' ' 31' ' ' LEU . 11.5 tttp -128.52 155.09 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 pt20 -158.51 136.39 10.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.99 173.5 45.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -87.01 114.58 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.451 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 43.6 mtm -123.76 158.31 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 mtp -99.99 109.43 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 81' ' ' PHE . 21.8 tptt -91.36 142.61 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 30.9 tttp -90.37 112.11 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' HIS . . . -74.67 94.22 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' GLY . 7.0 t-80 -34.41 -41.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -48.97 -55.0 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -128.8 140.16 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -70.76 77.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -150.25 163.07 39.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.3 m95 -114.34 138.27 50.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 p -142.07 122.08 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -50.73 134.64 24.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 -154.21 142.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.508 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 60.7 t-105 -71.82 145.13 48.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 14.1 m-85 -129.91 140.7 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.647 HG13 HG21 ' A' ' 8' ' ' VAL . 61.8 t -125.0 91.54 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD23 ' HB2' ' A' ' 10' ' ' LYS . 4.4 tp -70.49 105.65 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.609 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.3 mptt -89.61 164.67 28.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.636 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.8 Cg_endo -69.7 -26.39 27.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -133.7 25.16 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.609 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.4 tt -179.12 176.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -148.28 104.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -99.6 164.61 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -145.27 116.07 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.2 m-85 -105.94 150.24 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.0 t -44.86 -44.13 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 62.5 p -135.02 -174.96 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 12.6 pt-20 -86.27 33.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.97 -29.54 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.87 43.38 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -110.85 -42.11 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.18 88.37 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 24.2 ttpt -66.89 145.69 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -106.44 -43.47 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.73 175.11 47.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.21 135.08 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.595 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 6.3 mt -102.91 95.89 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 35' ' ' ILE . 23.1 mt -55.95 101.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.542 HD11 HG13 ' A' ' 36' ' ' ILE . 38.4 mt -71.88 146.9 47.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HA ' HD13 ' A' ' 105' ' ' LEU . 1.6 p30 -174.18 151.61 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -34.69 -40.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.97 -49.92 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.552 ' O ' HD13 ' A' ' 102' ' ' ILE . 94.9 m -64.5 142.6 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.0 p -155.67 167.42 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.728 ' CG1' HG23 ' A' ' 95' ' ' ILE . 13.7 p -116.95 145.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -136.5 152.65 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.5 p -86.06 134.24 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 73' ' ' LEU . 42.2 mt -107.65 152.42 41.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -169.49 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.74 126.56 36.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LYS . 6.8 ptpp? -144.18 167.41 22.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t0 35.53 37.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.1 45.29 96.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.712 ' HB2' HD11 ' A' ' 71' ' ' LEU . 32.5 mmtm -117.29 160.21 21.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -134.8 147.24 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.31 53.53 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 68' ' ' LYS . 3.8 mt -89.69 150.19 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 32.6 p90 -151.86 156.44 40.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.571 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.2 tt -144.58 152.94 41.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.17 130.54 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -109.16 117.5 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.13 176.46 5.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 76' ' ' CYS . 8.6 m-85 -31.61 -69.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.64 -27.06 3.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.46 155.34 22.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.415 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 p -135.44 157.46 46.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.595 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.2 m-85 -145.42 111.75 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.82 117.15 34.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 16.1 mt -123.5 152.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 83' ' ' ILE . 43.2 t -120.16 135.3 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.35 163.57 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 t -85.29 -56.78 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -126.27 178.36 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -62.53 -36.04 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.05 -60.37 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' LYS . 5.7 mptt -58.17 -61.08 2.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HD3' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -38.0 -60.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 94' ' ' TRP . 25.5 tt0 -64.9 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -37.92 -32.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.507 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 33.9 m95 -79.15 -66.7 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.728 HG23 ' CG1' ' A' ' 59' ' ' VAL . 52.6 mt -44.61 -42.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.69 -50.4 73.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.72 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -57.72 -48.82 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -58.04 -48.67 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 p -63.16 -43.79 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.1 m -51.21 -39.31 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 57' ' ' CYS . 30.5 mt -72.01 -48.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.472 ' CE1' HD21 ' A' ' 107' ' ' LEU . 5.0 t-80 -42.94 -44.61 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.0 -36.98 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 54' ' ' ASP . 23.3 mt -71.03 -29.33 65.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.477 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 66.9 mttt -63.07 -41.86 99.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.472 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.9 mm? -46.38 -51.64 14.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.89 88.58 0.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -110.13 118.99 37.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.6 t -105.41 139.18 40.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 112' ' ' PRO . . . -78.37 116.67 4.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 111' ' ' GLY . 53.9 Cg_endo -69.76 142.77 48.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.0 p -80.4 109.35 14.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 p -102.3 163.32 12.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -109.35 106.03 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -133.43 126.81 32.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.47 133.02 1.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -156.69 175.86 13.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.7 t -85.91 174.94 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.94 -68.3 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG13 HG13 ' A' ' 30' ' ' VAL . 88.1 t -36.17 112.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.55 -60.99 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.7 tttp -126.49 156.08 41.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -158.44 124.82 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.06 176.2 42.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 18.5 m-85 -91.74 103.77 16.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.478 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 67.7 mtm -114.78 158.61 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.9 mtp -100.67 116.24 32.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -106.24 142.92 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 17.4 ttpp -91.77 123.97 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' HIS . . . -38.4 137.59 0.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 18' ' ' GLY . 8.4 m-70 -36.03 -53.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -130.81 41.03 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 19.4 mtm105 -142.5 128.75 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -82.98 52.27 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.95 87.61 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.421 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 93.3 m95 -55.75 143.5 30.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.5 p -152.12 139.52 19.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 4.6 tp10 -68.3 146.52 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.4 mtt-85 -166.33 142.68 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 53.2 t-105 -72.71 136.08 45.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.58 149.72 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.683 HG13 HG13 ' A' ' 8' ' ' VAL . 46.7 t -134.54 97.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 HG12 ' A' ' 36' ' ' ILE . 23.2 tp -73.53 94.95 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.616 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.4 mptt -77.47 164.82 55.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -28.8 24.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 34' ' ' ASN . 51.8 t-20 -131.95 25.31 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.616 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.0 tt -178.5 177.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG12 HD12 ' A' ' 31' ' ' LEU . 37.7 mt -148.09 104.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -101.46 169.94 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 30.6 p90 -152.16 117.41 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CG ' ' HA ' ' A' ' 44' ' ' LEU . 47.5 m-85 -102.49 135.29 44.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 m -48.27 -19.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 m -138.64 174.83 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.7 pt-20 -93.05 27.99 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -104.12 -21.67 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 15.7 mt 69.31 36.72 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -111.41 -47.46 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.14 97.72 8.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -92.76 144.6 25.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 7.0 mmtp -99.94 -39.7 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.22 -164.2 28.16 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.49 139.04 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.794 HD11 ' CD2' ' A' ' 81' ' ' PHE . 25.9 mt -104.4 98.73 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.509 HD23 HD11 ' A' ' 35' ' ' ILE . 42.4 mt -57.06 105.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 12.9 mt -71.98 134.11 45.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -157.49 150.84 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -38.1 -35.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.517 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 15.5 m120 -63.09 -57.04 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' HD13 ' A' ' 102' ' ' ILE . 88.6 m -54.08 147.51 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.434 ' O ' HG13 ' A' ' 74' ' ' VAL . 28.2 p -157.56 167.37 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.79 138.57 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.576 ' OE2' HD21 ' A' ' 62' ' ' LEU . 10.1 pt-20 -133.85 137.82 45.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.9 p -82.68 127.82 33.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD21 ' OE2' ' A' ' 60' ' ' GLU . 41.7 mt -108.6 143.26 27.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.75 125.05 29.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -54.76 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 13.6 t70 -121.7 59.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.68 37.25 94.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' LEU . 24.2 mmtt -110.6 169.99 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -142.36 141.33 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m 58.09 48.84 12.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 68' ' ' LYS . 9.4 mt -81.19 149.05 29.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 27.2 p90 -152.12 130.08 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 73' ' ' LEU . 6.6 tt -119.94 144.99 47.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 58' ' ' CYS . 99.6 t -104.5 128.57 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -106.45 122.65 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.11 176.37 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.517 ' CZ ' ' CG ' ' A' ' 56' ' ' ASN . 8.4 m-85 -32.79 -70.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.76 -25.67 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -86.83 160.07 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.79 149.35 36.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.794 ' CD2' HD11 ' A' ' 51' ' ' ILE . 11.5 m-85 -136.47 117.35 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.82 119.89 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.1 mt -123.91 159.92 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.525 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.6 p -130.39 126.75 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -85.69 172.84 10.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -99.73 -54.0 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.66 156.9 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -45.69 -39.79 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.92 -58.55 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -53.49 -61.13 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -43.12 -66.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 30.6 tt0 -51.04 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 6.0 mm-40 -37.85 -46.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.521 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.5 m95 -64.65 -64.33 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 72' ' ' PHE . 3.5 mt -46.1 -54.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -54.14 -51.31 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.11 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.22 -54.57 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.18 -58.83 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.3 t -52.79 -51.53 60.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.6 m -46.46 -39.75 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.456 HG22 ' HE3' ' A' ' 106' ' ' LYS . 64.1 mt -74.96 -44.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -49.91 -40.28 42.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.8 mt -59.27 -30.33 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.3 mt -84.18 -22.12 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HE3' HG22 ' A' ' 102' ' ' ILE . 84.3 mttt -66.52 -40.54 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.15 -42.76 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.93 -58.22 10.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.5 p -49.89 124.44 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 92.9 p -107.16 155.71 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.7 -95.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' SER . 54.3 Cg_endo -69.72 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' PRO . 88.6 p -34.66 144.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' SER . 14.6 m -37.94 130.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -107.18 144.03 34.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -56.9 91.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.34 75.43 1.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m -93.12 175.92 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -96.04 88.05 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 131.7 -179.41 17.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.66 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.1 p -33.2 128.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 33' ' ' PRO . 8.6 mt -86.46 -55.03 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE2' ' CD1' ' A' ' 94' ' ' TRP . 28.5 tttp -118.24 156.53 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -158.56 136.15 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.446 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 178.88 163.67 30.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -77.33 106.46 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.538 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 56.8 mtm -118.92 150.95 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.7 mtp -104.2 124.36 48.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HZ2' ' HZ ' ' A' ' 29' ' ' PHE . 3.9 ttpm? -111.98 139.29 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 20.4 ttpp -83.23 115.02 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.15 -160.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -109.66 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -45.31 -56.68 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 2.5 tpm_? -140.34 163.81 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -75.67 53.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -94.89 122.29 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 91.3 m95 -95.22 126.24 40.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.1 p -129.13 134.79 48.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.05 101.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.687 ' NH1' HG22 ' A' ' 40' ' ' VAL . 9.5 tpt180 -117.76 135.99 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 48.5 t-105 -68.48 126.5 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' HZ ' ' HZ2' ' A' ' 16' ' ' LYS . 19.8 m-85 -111.87 147.2 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 ' CG2' ' A' ' 8' ' ' VAL . 61.3 t -129.66 95.46 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 HG12 ' A' ' 36' ' ' ILE . 55.2 tp -71.53 96.29 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.646 ' CB ' HG22 ' A' ' 35' ' ' ILE . 39.9 mmtt -78.28 162.94 64.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.76 -25.91 28.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -135.04 26.38 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 52' ' ' LEU . 2.3 tt -179.69 -179.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.557 HG13 HD11 ' A' ' 53' ' ' LEU . 49.4 mt -148.42 105.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.5 m -116.94 149.42 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.806 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -126.21 137.3 53.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 47' ' ' LYS . 86.9 m-85 -111.61 148.55 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG22 ' NH1' ' A' ' 27' ' ' ARG . 92.6 t -42.31 -38.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -143.72 -175.24 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.19 32.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.61 -29.26 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 39' ' ' TYR . 18.6 mt 68.77 44.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -114.38 107.09 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ttmp? -97.47 155.46 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 24.8 mmtt -105.15 -35.14 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.11 -171.98 44.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.5 145.31 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.567 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 77.9 mt -112.79 88.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 35' ' ' ILE . 27.5 mt -51.17 109.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 HG13 ' A' ' 36' ' ' ILE . 37.8 mt -77.36 146.29 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 55' ' ' GLU . 28.5 m-20 -164.94 149.28 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 7.9 pt-20 -33.81 -37.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 m-80 -61.85 -55.21 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.522 ' O ' HD13 ' A' ' 102' ' ' ILE . 90.3 m -54.84 145.39 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.5 t -159.36 164.68 34.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.407 HG13 HG23 ' A' ' 95' ' ' ILE . 7.6 p -117.7 143.79 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -135.47 159.76 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -96.13 126.2 41.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 73' ' ' LEU . 43.9 mt -97.28 146.22 30.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.653 0.739 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.6 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.5 119.87 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -146.5 164.58 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LYS . 14.7 t0 35.8 42.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.75 46.79 66.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.669 ' CB ' HD11 ' A' ' 71' ' ' LEU . 16.6 mmtm -122.99 179.54 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -150.49 167.9 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 69' ' ' LYS . 59.4 m 34.96 50.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD11 ' CB ' ' A' ' 68' ' ' LYS . 4.2 mt -85.56 152.03 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 30.0 p90 -152.11 130.01 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.898 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.5 tt -118.66 144.35 46.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 58' ' ' CYS . 79.4 t -106.35 128.56 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 7.0 mtpm? -105.23 127.13 52.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -118.42 176.43 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.3 m-85 -32.07 -72.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.84 -27.84 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.0 155.24 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.3 p -136.58 152.75 50.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 47.1 m-85 -141.54 125.42 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.84 109.91 20.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.567 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.2 mt -113.0 154.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.1 t -119.15 130.22 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.14 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.6 t -75.96 -58.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -124.85 155.29 39.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -42.95 -36.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -59.78 -53.23 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -56.62 -60.84 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -36.52 -59.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' TRP . 6.1 tp60 -62.09 -72.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' GLN . 7.3 mm-40 -37.37 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.538 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 36.7 m95 -80.53 -57.18 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 72' ' ' PHE . 22.1 mt -57.06 -49.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -59.03 -46.37 88.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.43 -52.7 64.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.9 mt -59.89 -49.74 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -47.75 -55.34 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.3 t -61.4 -51.02 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -44.39 -38.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 57' ' ' CYS . 71.2 mt -74.04 -47.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -47.85 -40.12 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -57.63 -31.25 66.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.05 -29.53 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 99.4 mttt -61.23 -38.89 88.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.56 -45.48 57.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.52 89.61 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 p -81.57 46.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.824 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 m -51.25 -56.94 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.31 137.09 28.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 128.79 16.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 0.0 112.379 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.3 t -85.4 126.91 34.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.8 p -71.97 110.93 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -161.51 152.25 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.61 ' HB2' HD22 ' A' ' 9' ' ' LEU . 44.8 p -105.85 133.78 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.95 -46.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -85.05 156.57 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -48.46 128.45 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 154.03 123.16 0.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.493 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.6 p -33.65 127.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 3' ' ' SER . 12.0 mt -86.69 -47.03 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.5 tttm -127.89 154.03 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -158.08 130.29 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -176.77 166.78 37.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 11.1 m-85 -81.09 115.92 20.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.454 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 68.1 mtm -127.38 150.83 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 mtp -92.14 111.92 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.27 135.21 44.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.3 tttm -91.32 98.1 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.42 141.98 47.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -39.02 -62.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -93.25 160.25 14.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.5 tpt180 67.0 53.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -34.17 105.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -171.44 175.82 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.2 m95 -122.58 129.79 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.8 p -134.02 132.66 40.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 46.4 tt0 -69.62 96.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' NH1' ' HD2' ' A' ' 48' ' ' LYS . 8.0 tpp180 -113.77 137.62 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.7 t-105 -68.07 139.89 56.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 15.8 m-85 -129.04 125.22 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' CG2' ' A' ' 8' ' ' VAL . 93.7 t -109.13 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 36' ' ' ILE . 52.4 tp -70.31 119.07 13.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.636 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.6 mmtt -103.0 162.78 19.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.2 Cg_endo -69.79 -25.77 28.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -133.94 25.59 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.636 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.59 178.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.675 HG13 HD11 ' A' ' 53' ' ' LEU . 37.1 mt -148.18 105.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.6 167.79 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.591 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 13.3 p90 -150.4 116.26 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.76 168.5 9.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.34 -55.73 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 p -123.29 -175.2 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 16.4 pt-20 -84.69 30.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.428 ' CG ' ' HG3' ' A' ' 45' ' ' LYS . 19.7 t0 -105.11 -27.53 11.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 30' ' ' VAL . 17.5 mt 66.46 39.91 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG3' ' CG ' ' A' ' 43' ' ' ASP . 17.9 mtpp -100.85 -39.81 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -117.55 113.08 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -86.48 144.99 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD2' ' NH1' ' A' ' 27' ' ' ARG . 8.6 mmpt? -102.89 -42.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.54 -153.77 9.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -159.7 146.95 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 37.4 mt -117.05 93.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 35' ' ' ILE . 25.2 mt -54.46 113.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.675 HD11 HG13 ' A' ' 36' ' ' ILE . 36.2 mt -81.68 141.67 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 55' ' ' GLU . 8.0 m-20 -161.88 150.2 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.493 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 11.5 pt-20 -33.02 -42.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 5.5 m-80 -58.93 -55.63 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.495 ' O ' HD13 ' A' ' 102' ' ' ILE . 99.0 m -51.89 140.92 18.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.457 ' O ' HG13 ' A' ' 74' ' ' VAL . 29.9 p -156.18 168.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.659 ' CG1' HG23 ' A' ' 95' ' ' ILE . 8.8 p -123.57 140.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.54 161.36 26.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 p -100.81 103.45 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -76.57 147.45 78.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -87.12 121.93 30.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -146.7 160.36 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.19 42.46 6.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.72 35.48 91.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HG3' HD11 ' A' ' 71' ' ' LEU . 64.8 mmtt -103.82 172.71 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.65 -38.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.0 m -131.92 96.27 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD11 ' HG3' ' A' ' 68' ' ' LYS . 26.3 mt -114.04 164.01 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.7 p90 -168.41 130.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 73' ' ' LEU . 4.8 tt -119.91 152.79 36.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 58' ' ' CYS . 86.8 t -111.95 128.63 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -106.0 115.38 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -109.6 176.66 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 56' ' ' ASN . 8.7 m-85 -30.66 -71.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.68 -27.73 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -82.42 162.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.462 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 18.7 p -141.5 158.38 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 49.5 m-85 -150.67 113.99 4.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 73' ' ' LEU . 19.9 tt0 -102.32 126.83 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 10.3 mt -132.31 150.88 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.413 ' CB ' HD23 ' A' ' 71' ' ' LEU . 31.2 t -115.22 150.2 36.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.61 158.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.2 t -86.09 -62.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -113.99 145.15 41.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -41.21 -41.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -50.13 -56.13 12.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -58.03 -50.47 73.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -49.66 -52.4 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -50.74 -60.63 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 33.8 m95 -48.63 -60.62 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.659 HG23 ' CG1' ' A' ' 59' ' ' VAL . 4.9 mt -49.44 -48.61 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -57.7 -43.46 85.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.66 -50.96 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.497 HG23 HD11 ' A' ' 36' ' ' ILE . 21.1 mt -58.93 -56.48 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -45.09 -51.27 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -59.09 -46.93 87.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 33' ' ' PRO . 58.8 m -48.44 -44.43 35.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 57' ' ' CYS . 23.4 mt -68.85 -37.89 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.512 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 10.0 t60 -49.28 -45.38 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.14 -32.1 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 53' ' ' LEU . 47.0 mt -72.94 -33.76 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.512 ' CD ' ' HA ' ' A' ' 103' ' ' HIS . 3.2 mtpm? -65.39 -44.12 88.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 103' ' ' HIS . 3.6 mm? -44.61 -51.99 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' SER . . . -69.99 -97.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' GLY . 42.2 t -34.81 110.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.825 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.2 p -51.55 135.78 27.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -120.78 69.67 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -179.48 2.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.636 2.224 . . . . 0.0 112.323 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.2 m -49.06 134.35 17.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.5 p -116.87 42.11 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.9 t 36.88 42.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -118.73 -46.04 2.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.25 133.3 7.41 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -81.55 148.19 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -55.67 -52.21 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -97.34 -104.18 2.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.559 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.4 p -33.78 126.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.23 -48.98 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -127.6 153.45 46.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -158.6 133.21 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.75 159.98 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD1' ' OE2' ' A' ' 26' ' ' GLU . 5.8 m-85 -71.05 120.89 17.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.2 mtm -127.61 147.37 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.4 mtp -92.35 111.14 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -102.48 133.5 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -71.97 115.38 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.78 131.57 3.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -42.25 -50.49 4.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -44.09 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -75.08 168.45 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 3.6 mppt? -106.09 -55.78 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' LYS . 63.3 m-80 -34.18 109.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -59.19 153.02 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.5 p -142.4 131.82 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' OE2' ' CD1' ' A' ' 13' ' ' TYR . 31.6 tt0 -64.63 129.76 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -145.81 141.34 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.2 t-105 -75.25 137.22 41.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 14.9 m-85 -124.28 143.89 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 8' ' ' VAL . 93.2 t -125.63 98.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 36' ' ' ILE . 61.3 tp -74.84 103.5 5.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.645 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.7 mmtt -86.59 162.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.6 Cg_endo -69.68 -26.02 28.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -134.97 26.8 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.645 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.99 179.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG12 HD12 ' A' ' 31' ' ' LEU . 36.3 mt -148.78 105.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 m -115.81 141.65 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.585 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 1.6 p90 -123.32 130.27 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 45.2 m-85 -100.82 144.63 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' CE ' ' A' ' 48' ' ' LYS . 7.9 p -52.82 -25.23 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 p -135.69 170.59 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.8 pt-20 -85.78 28.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -106.45 -26.84 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.0 mt 74.09 38.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -107.88 -42.71 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.26 81.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 8.0 ttpm? -60.12 133.74 56.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CE ' ' HB ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -81.39 -39.8 24.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . 177.82 -178.93 48.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.8 m-20 -132.13 153.14 50.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.585 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 55.7 mt -127.86 96.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 35' ' ' ILE . 33.6 mt -56.41 105.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 101' ' ' THR . 31.6 mt -69.28 139.61 54.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 64.5 m-20 -161.54 143.93 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -34.59 -38.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -59.63 -54.17 49.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.489 ' O ' HD13 ' A' ' 102' ' ' ILE . 85.3 m -61.16 145.58 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 74' ' ' VAL . 3.8 m -159.72 160.99 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.547 HG13 HG23 ' A' ' 95' ' ' ILE . 7.2 p -108.4 148.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -137.9 174.63 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.0 t -112.54 128.21 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 73' ' ' LEU . 94.1 mt -100.98 147.98 34.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' 71' ' ' LEU . 53.2 Cg_endo -69.84 -165.36 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.42 105.76 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 11.6 ttmm -112.38 143.21 43.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 39.97 34.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 71.26 1.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HG3' HD11 ' A' ' 71' ' ' LEU . 20.7 mmtm -125.72 177.93 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.79 -41.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 91.5 m -130.87 96.06 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 63' ' ' PRO . 26.2 mt -114.8 162.56 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 18.4 p90 -171.25 132.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 74' ' ' VAL . 5.4 tt -124.15 155.37 38.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.58 ' N ' HD23 ' A' ' 73' ' ' LEU . 86.8 t -117.01 128.45 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.23 135.52 39.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -130.62 176.6 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.6 m-85 -30.1 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -124.35 -23.71 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -87.31 154.37 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.7 p -134.14 139.91 46.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 41.5 m-85 -122.93 117.14 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -103.91 124.9 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.6 mt -132.7 154.58 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 83' ' ' ILE . 47.6 t -128.32 132.1 48.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.07 162.83 13.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -94.36 -55.19 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.52 152.75 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.53 -44.66 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -51.07 -49.46 60.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -63.18 -54.99 28.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.08 -64.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 31.2 tt0 -57.53 -65.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 20.1 mm-40 -37.29 -45.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -63.75 -59.24 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.547 HG23 HG13 ' A' ' 59' ' ' VAL . 14.9 mt -50.81 -45.99 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.48 -49.68 72.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.53 75.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.31 -51.98 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -43.96 -59.82 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.7 m -56.16 -46.0 79.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 53' ' ' LEU . 87.6 m -46.6 -42.97 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 57' ' ' CYS . 33.6 mt -71.54 -40.42 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.41 ' CE1' HD21 ' A' ' 107' ' ' LEU . 8.4 t-80 -48.6 -42.8 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.6 mt -55.77 -35.48 66.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.36 -37.32 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 34.2 mttp -54.09 -43.81 70.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.41 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.9 mm? -46.33 -52.19 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.67 110.9 3.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.9 m -160.07 132.49 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.2 t -121.97 129.42 52.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -120.49 -83.05 0.74 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 131.36 21.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 m -47.17 121.38 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.4 t -49.09 -41.48 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -73.55 -45.72 51.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -98.69 171.06 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.56 -44.07 1.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -80.35 169.49 17.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -118.69 90.24 3.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.69 -116.58 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.4 p -53.79 128.84 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 111.083 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.52 -45.36 12.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.2 tttp -129.16 155.52 45.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.6 pt20 -157.44 132.1 8.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.27 168.39 41.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 5.2 m-85 -86.04 110.13 19.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.519 ' HE3' HG21 ' A' ' 83' ' ' ILE . 69.7 mtm -121.55 157.99 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.2 mtp -104.91 111.85 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -97.24 129.25 44.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.544 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 23.4 tttp -70.19 110.73 5.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.69 -131.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -127.49 -45.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -54.78 178.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -44.39 162.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -34.49 119.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -174.44 117.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.1 m95 -103.83 147.6 27.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.0 p -138.9 128.25 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 13' ' ' TYR . 27.0 tt0 -72.09 105.96 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -122.83 132.26 54.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 54.6 t-105 -61.57 134.4 56.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 16.1 m-85 -119.04 134.31 55.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.566 HG13 ' CG2' ' A' ' 8' ' ' VAL . 87.1 t -118.22 95.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.67 106.67 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.1 mmtp -90.51 163.5 30.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.565 0.698 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.73 -26.38 27.8 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.746 2.298 . . . . 0.0 112.357 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -135.03 27.2 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.632 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.76 179.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 98' ' ' ILE . 50.2 mt -149.32 104.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 m -114.58 137.7 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 19.4 p90 -120.76 124.33 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.8 m-85 -100.07 161.36 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.73 -43.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -138.27 -175.27 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.71 35.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -103.05 -31.2 10.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.77 45.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -119.31 -42.68 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.77 92.14 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 21.0 ttmt -70.0 155.34 40.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -113.25 -37.0 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.77 -175.47 45.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.41 139.44 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.811 HD11 ' CD2' ' A' ' 81' ' ' PHE . 64.9 mt -113.08 89.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.88 111.25 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 35' ' ' ILE . 58.3 mt -75.75 128.69 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 5.8 m-20 -144.14 143.49 31.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ASP . 13.8 pt-20 -34.58 -36.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.4 m-80 -61.95 -54.96 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.0 m -51.79 152.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.55 ' O ' HG13 ' A' ' 74' ' ' VAL . 30.8 p -161.89 165.21 27.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG13 HG23 ' A' ' 95' ' ' ILE . 7.4 p -121.3 144.99 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -132.45 165.61 23.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.4 t -107.16 117.54 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 73' ' ' LEU . 61.0 mt -101.64 141.31 22.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.87 123.72 32.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.664 ' HE3' HD13 ' A' ' 71' ' ' LEU . 10.4 ptpt -120.62 -52.52 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 65' ' ' LYS . 7.8 m-20 -106.34 73.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.69 48.04 1.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -125.55 -179.05 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.15 144.18 25.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m 61.16 54.79 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.664 HD13 ' HE3' ' A' ' 65' ' ' LYS . 5.9 mt -88.65 143.98 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 28.7 p90 -150.21 130.98 14.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 62' ' ' LEU . 4.7 tt -119.68 152.73 36.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 58' ' ' CYS . 98.4 t -111.86 128.4 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -105.43 122.7 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -116.79 176.53 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.4 m-85 -29.84 -70.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.17 -27.67 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -85.97 159.0 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 p -138.9 153.91 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.811 ' CD2' HD11 ' A' ' 51' ' ' ILE . 29.1 m-85 -140.5 114.96 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -101.42 122.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.7 mt -129.41 141.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -108.69 128.96 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -85.39 159.0 20.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.5 p -84.07 -49.87 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -133.85 166.33 22.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -41.95 63.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -51.15 -59.93 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.9 mptm? -59.39 -61.4 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 4.1 tmtt? -34.93 -55.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' TRP . 4.2 tp60 -69.32 -65.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -40.58 -26.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.452 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 32.6 m95 -80.42 -58.28 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.557 HG23 HG13 ' A' ' 59' ' ' VAL . 45.5 mt -55.08 -43.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -62.88 -39.92 95.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.12 -50.91 51.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.484 HG23 HD11 ' A' ' 36' ' ' ILE . 28.2 mt -60.21 -54.79 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.87 -54.67 11.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.5 m -57.92 -45.92 85.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 33' ' ' PRO . 72.3 m -50.21 -41.7 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.7 mt -71.77 -44.31 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -47.44 -40.07 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.25 -30.81 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 53' ' ' LEU . 58.4 mt -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -61.38 -45.69 93.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -43.04 -47.71 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -178.7 -108.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m 53.84 41.84 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -138.22 165.26 27.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -123.37 -169.77 13.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 87.74 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.8 t -113.94 42.3 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.0 p -166.41 125.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.448 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -53.89 156.14 3.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -101.42 -46.8 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.63 -150.84 21.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -83.72 79.41 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -109.81 149.28 30.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.18 -90.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -38.6 102.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 33' ' ' PRO . 12.4 mt -79.17 -54.09 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.3 tttp -129.25 157.88 40.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.1 pt20 -158.31 124.87 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.94 159.3 32.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -81.83 108.24 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.933 0.396 . . . . 0.0 110.958 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.486 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 40.7 mtm -118.68 157.85 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.453 ' HE2' ' N ' ' A' ' 25' ' ' THR . 15.6 mtp -103.38 112.9 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 30.7 tttm -95.01 146.45 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' GLY . 26.8 tttt -90.62 114.0 26.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.56 141.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -68.86 -46.8 67.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.01 -46.83 10.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -105.74 158.71 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -92.36 46.91 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -102.32 138.66 38.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.414 ' CZ2' ' HE3' ' A' ' 17' ' ' LYS . 94.4 m95 -98.55 141.16 31.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' HE2' ' A' ' 15' ' ' MET . 41.0 p -150.69 135.77 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.12 128.5 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -146.26 129.54 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 55.2 t-105 -64.77 115.18 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -98.32 137.66 36.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -120.37 100.57 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' A' ' 9' ' ' LEU . 17.3 tp -76.59 94.92 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.642 ' CB ' HG22 ' A' ' 35' ' ' ILE . 17.2 mmtp -77.08 162.98 67.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.727 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.784 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 -26.02 28.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -134.94 26.92 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 53' ' ' LEU . 2.5 tt 179.87 179.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG13 HD11 ' A' ' 53' ' ' LEU . 40.2 mt -148.84 105.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.8 m -118.25 146.73 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -118.64 129.6 55.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -106.02 153.12 22.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t -42.48 -57.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 m -126.21 -174.76 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 10.7 pt-20 -83.49 35.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -104.94 -31.58 9.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.9 mt 69.39 39.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -106.53 -41.43 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -116.45 112.5 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -82.46 154.88 24.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -112.97 -41.63 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.88 -166.94 25.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -155.31 139.18 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 81' ' ' PHE . 53.8 mt -116.97 96.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 35' ' ' ILE . 26.7 mt -54.74 113.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 35' ' ' ILE . 51.0 mt -78.42 140.75 38.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' GLU . 66.0 m-20 -161.32 148.43 14.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 3.8 pt-20 -37.38 -33.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.9 m120 -63.62 -57.63 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.415 ' O ' HD13 ' A' ' 102' ' ' ILE . 96.9 m -50.03 143.04 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.522 ' O ' HG13 ' A' ' 74' ' ' VAL . 12.1 p -155.23 173.38 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG21 HG12 ' A' ' 95' ' ' ILE . 8.2 p -121.56 150.75 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -141.86 142.6 33.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.2 p -81.34 120.64 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 73' ' ' LEU . 36.3 mt -98.52 149.36 35.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 179.92 3.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.69 123.91 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -142.25 151.87 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t0 57.18 45.48 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.03 57.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -121.25 -177.19 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -164.01 149.26 10.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 m 55.46 51.6 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 65' ' ' LYS . 3.9 mt -88.39 156.71 19.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -164.31 136.62 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.685 HD12 ' HB2' ' A' ' 82' ' ' GLU . 8.0 tt -123.38 151.5 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 58' ' ' CYS . 87.5 t -112.2 128.62 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -105.4 123.88 48.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.478 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.27 176.64 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.35 -71.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -125.36 -27.14 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -85.65 157.49 20.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 38.1 p -135.01 155.68 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.698 ' CD2' HD11 ' A' ' 51' ' ' ILE . 31.3 m-85 -146.94 108.61 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' HD12 ' A' ' 73' ' ' LEU . 70.3 tt0 -99.82 129.7 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.554 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.5 mt -131.2 157.65 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.49 ' N ' HG22 ' A' ' 83' ' ' ILE . 10.6 p -130.19 119.97 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -78.43 -179.0 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -112.73 -47.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.35 147.61 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -43.9 -40.73 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -53.77 -59.71 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -56.35 -61.68 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 5.0 tmtt? -37.89 -62.24 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -62.37 -65.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' HE2' ' A' ' 10' ' ' LYS . 6.7 mm-40 -37.8 -33.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 32.4 m95 -77.68 -58.28 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.476 HD11 ' CB ' ' A' ' 72' ' ' PHE . 21.8 mt -52.12 -47.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -58.14 -52.89 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.32 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.0 mt -50.52 -47.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -55.4 -46.73 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 m -65.63 -46.1 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.3 m -50.79 -45.14 59.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 57' ' ' CYS . 60.7 mt -66.17 -43.94 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.414 ' CE1' HD21 ' A' ' 107' ' ' LEU . 10.6 t-80 -49.01 -40.26 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.9 mt -58.45 -31.73 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.09 -27.89 48.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -62.11 -41.03 97.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.5 mm? -50.06 -51.68 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 109' ' ' SER . . . -39.22 -76.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' GLY . 64.9 p -35.39 119.9 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.6 m -72.7 97.09 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.52 122.44 0.87 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 86.87 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.6 t -120.93 92.59 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.2 p -58.76 -30.66 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.507 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -130.34 103.48 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.85 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -45.56 -21.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.72 110.19 3.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -41.36 -54.72 2.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -51.83 175.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 156.32 -76.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.651 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.5 p -33.48 127.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 33' ' ' PRO . 7.4 mt -78.57 -53.63 7.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -127.36 156.45 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.7 132.11 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.66 179.66 40.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 10.7 m-85 -104.01 105.39 15.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.673 ' HE1' ' CB ' ' A' ' 29' ' ' PHE . 3.2 mpp? -115.23 168.32 10.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.2 mtp -107.53 110.94 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -98.02 129.96 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 19.3 tttm -68.27 104.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.01 -73.51 1.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -62.13 142.79 57.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.806 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -63.37 -39.64 95.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -62.62 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -174.52 129.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -174.99 155.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 96.9 m95 -155.59 120.21 4.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -129.68 137.23 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 36.7 tt0 -74.0 99.63 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -112.81 145.49 40.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 46.7 t-105 -77.17 127.89 33.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.673 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 16.3 m-85 -113.13 147.3 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.651 HG13 ' CG2' ' A' ' 8' ' ' VAL . 98.7 t -130.94 99.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' HG ' HD12 ' A' ' 9' ' ' LEU . 11.3 tp -75.75 90.45 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HG22 ' A' ' 35' ' ' ILE . 42.7 mmtt -72.24 163.03 70.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.8 Cg_endo -69.74 -25.77 28.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.94 26.47 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.632 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.98 178.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.578 HG13 HD11 ' A' ' 53' ' ' LEU . 56.3 mt -149.1 104.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -116.48 158.95 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 8.7 p90 -131.74 129.51 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 88.4 m-85 -104.78 158.33 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 85.2 t -54.49 -45.42 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.4 p -126.87 179.51 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.551 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 17.3 pt-20 -84.05 34.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -107.39 -31.29 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 30' ' ' VAL . 16.1 mt 72.39 42.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -109.04 -42.11 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -115.04 98.32 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 25.2 ttpp -77.25 153.24 34.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.4 mmmt -108.64 -42.0 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' HZ2' ' A' ' 47' ' ' LYS . . . -166.05 171.79 41.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -132.79 138.14 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 20.6 mt -111.46 93.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD23 HD11 ' A' ' 35' ' ' ILE . 38.7 mt -50.26 108.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 36' ' ' ILE . 14.3 mt -77.81 135.27 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 55' ' ' GLU . 41.3 t0 -169.42 157.22 7.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 13.7 pt-20 -33.39 -52.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.604 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -48.63 -53.4 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.598 ' O ' HD13 ' A' ' 102' ' ' ILE . 35.8 m -62.09 131.96 51.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' HA ' HD13 ' A' ' 102' ' ' ILE . 32.1 p -151.7 153.34 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.61 146.08 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.82 135.4 29.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 m -68.99 143.01 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 73' ' ' LEU . 65.7 mt -117.4 156.06 49.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.72 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 119.21 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -140.12 150.19 43.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 22.7 t70 60.94 42.75 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.36 52.8 42.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -127.35 173.5 9.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -149.94 153.79 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.3 m 52.84 54.6 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.511 HD13 ' HD2' ' A' ' 65' ' ' LYS . 3.1 mt -90.32 151.86 21.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.5 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 29.4 p90 -156.83 142.68 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.636 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.9 tt -131.05 155.09 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.74 130.75 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -108.76 124.0 49.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 77' ' ' PHE . 14.4 m -119.34 176.69 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.604 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 5.6 m-85 -30.21 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -122.52 -29.78 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -82.29 155.29 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 p -140.12 148.32 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 15.7 m-85 -135.9 124.49 23.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -108.52 124.97 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.5 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.5 mt -130.9 148.37 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -117.54 133.36 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.43 175.1 6.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.1 t -100.79 -56.97 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.72 155.44 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -44.73 -38.0 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -52.94 -60.25 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -59.9 -54.67 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -45.98 -61.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.8 tp-100 -57.73 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.0 mm-40 -37.9 -52.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -57.74 -62.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.4 mt -46.85 -55.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.35 -39.47 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.16 -57.62 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.24 -54.37 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.15 -56.3 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -55.24 -48.24 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.1 m -50.35 -40.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 57' ' ' CYS . 45.0 mt -69.98 -50.2 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.504 ' HE1' HD21 ' A' ' 107' ' ' LEU . 3.7 t-80 -42.17 -49.34 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.1 mt -49.16 -37.46 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 54' ' ' ASP . 16.1 mt -73.34 -33.6 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 68.5 mttt -57.96 -38.91 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.504 HD21 ' HE1' ' A' ' 103' ' ' HIS . 3.8 mm? -47.54 -48.71 27.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.91 166.82 42.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -50.08 122.5 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.0 t -149.96 113.08 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.73 83.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.08 39.58 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 m -90.38 108.71 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 p -172.99 118.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -120.16 176.39 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -108.84 166.38 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.1 119.19 2.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p -151.82 175.79 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -116.95 139.85 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 133.81 -134.57 7.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.442 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.605 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.7 p -34.04 124.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.31 -48.98 9.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 33.3 tttm -125.44 155.78 39.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -158.44 134.21 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 178.86 154.26 12.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD1' ' CD ' ' A' ' 26' ' ' GLU . 12.8 m-85 -69.12 101.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.596 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 60.9 mtm -110.53 146.28 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.1 mtp -93.03 111.84 23.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' LYS . 12.8 tttm -99.34 120.15 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 8.3 tptp -33.94 132.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.78 143.6 42.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.557 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 105.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 61.68 38.08 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -144.8 147.44 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -87.24 42.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -134.75 173.63 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 70.1 m95 -129.63 158.8 38.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -153.83 133.9 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.34 144.75 55.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -162.95 137.84 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.52 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 34.7 t-105 -66.13 122.84 18.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -114.16 120.17 39.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.605 HG13 ' CG2' ' A' ' 8' ' ' VAL . 94.7 t -104.68 102.11 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD12 HG12 ' A' ' 36' ' ' ILE . 18.2 tp -81.15 99.89 8.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' CB ' HG22 ' A' ' 35' ' ' ILE . 31.8 mmtt -81.51 163.22 55.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.2 Cg_endo -69.71 -23.88 30.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.379 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -134.74 23.41 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.595 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -178.93 178.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.456 HG12 HD12 ' A' ' 31' ' ' LEU . 84.8 mt -148.51 104.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.6 m -114.64 141.55 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -120.53 125.55 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 64.1 m-85 -103.43 122.37 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -32.95 -34.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 61.8 p -118.52 171.91 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.9 pt-20 -96.58 30.65 2.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -113.87 -7.34 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt 63.0 34.61 13.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -99.75 -45.23 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 3.4 m-20 -107.88 119.27 38.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -102.84 146.67 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 2.8 mmmp? -104.23 -45.04 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . -174.67 -177.61 43.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 2.5 m-20 -136.95 130.03 30.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 26.1 mt -96.62 95.68 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -56.73 104.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 35' ' ' ILE . 71.4 mt -71.11 139.01 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' GLU . 36.4 t70 -158.0 150.02 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.0 pt-20 -33.65 -45.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -55.22 -55.22 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 58.5 m -52.04 140.9 19.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.03 169.65 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.539 ' CG1' HG23 ' A' ' 95' ' ' ILE . 11.3 p -119.58 140.5 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -132.96 134.81 45.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.8 m -78.42 135.34 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' CB ' ' A' ' 73' ' ' LEU . 62.0 mt -109.75 149.52 40.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -172.03 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.242 . . . . 0.0 112.325 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -85.09 121.39 27.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -138.12 147.6 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 52.32 37.79 23.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.52 44.35 90.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.661 ' CB ' HD11 ' A' ' 71' ' ' LEU . 43.7 mmtt -114.55 172.47 7.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -156.91 145.16 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m 57.66 45.38 19.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.661 HD11 ' CB ' ' A' ' 68' ' ' LYS . 16.8 mt -85.73 160.54 19.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.513 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 36.1 p90 -162.05 133.65 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.541 ' CB ' HD11 ' A' ' 62' ' ' LEU . 5.0 tt -122.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -105.06 128.46 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -108.97 132.77 53.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.55 176.65 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.69 -71.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -123.9 -28.98 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.447 ' N ' ' HE3' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.78 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 14.6 p -134.17 152.84 52.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 39.5 m-85 -144.44 122.29 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -106.99 122.06 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 15.3 mt -126.48 147.99 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 47.7 t -115.4 129.01 56.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.26 155.06 21.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' OD2' ' CB ' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -128.49 153.33 47.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -43.05 -39.99 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 51.5 tttm -54.53 -59.0 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -58.86 -52.29 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.52 -55.89 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.7 tp-100 -64.57 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' GLN . 16.5 mt-10 -36.99 -45.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 39.1 m95 -62.14 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.539 HG23 ' CG1' ' A' ' 59' ' ' VAL . 18.5 mt -48.52 -51.88 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -55.42 -45.66 76.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.7 -55.76 29.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.41 HG12 HD13 ' A' ' 31' ' ' LEU . 22.2 mt -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -50.01 -52.25 35.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 t -59.91 -50.3 74.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 33' ' ' PRO . 33.6 m -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.8 mt -75.77 -46.96 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -46.11 -42.73 14.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.89 -33.23 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.5 mt -76.01 -34.84 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -56.52 -39.6 73.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -44.07 -50.34 8.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.13 40.44 3.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.4 t -97.24 167.34 11.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m 59.95 41.68 17.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.08 -147.83 4.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 158.44 56.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 m -69.27 102.32 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.5 t -55.77 162.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -112.75 41.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -142.84 137.19 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.86 46.26 0.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -146.22 139.74 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -117.15 112.14 20.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 127.71 -170.6 19.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.633 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.1 p -34.73 125.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 111.09 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.03 -50.14 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.523 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.0 tttp -121.35 156.74 31.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -158.61 131.51 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.528 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 177.84 161.54 26.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 3.9 m-85 -76.78 121.09 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.8 mtm -129.89 148.98 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.3 mtp -94.86 121.36 36.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -108.66 133.48 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -67.24 120.66 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.4 166.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' ARG . 21.1 p-80 -49.76 107.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' HIS . 27.6 mmm-85 36.03 42.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.03 137.14 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -68.3 78.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -135.0 61.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 77.6 m95 -61.86 129.95 43.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 p -142.04 137.59 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 19.5 tt0 -66.73 118.23 9.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -139.32 130.56 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 29.8 t-105 -59.22 140.04 56.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.3 m-85 -128.29 133.84 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.633 HG13 ' CG2' ' A' ' 8' ' ' VAL . 92.0 t -116.09 92.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 31' ' ' LEU . 16.2 tp -71.07 92.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.654 ' CB ' HG22 ' A' ' 35' ' ' ILE . 21.2 mmtt -76.96 162.9 68.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.538 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.77 -26.37 27.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -135.01 27.26 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.654 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.5 tt -179.97 179.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.66 HG13 HD11 ' A' ' 53' ' ' LEU . 48.9 mt -149.07 105.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.6 p -114.51 140.83 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.424 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 7.2 p90 -121.87 129.8 52.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' SER . 49.9 m-85 -106.73 126.58 52.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -36.23 -29.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 21.8 p -129.08 167.22 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 22.5 pt-20 -88.68 33.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.86 -19.54 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.5 mt 66.2 40.21 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -122.64 -38.64 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 7.3 t0 -104.09 102.42 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -93.32 145.24 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -104.82 -42.35 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.84 -169.81 29.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -147.95 141.02 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.572 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 28.0 mt -114.01 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 35' ' ' ILE . 24.3 mt -53.43 108.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD11 HG13 ' A' ' 36' ' ' ILE . 36.7 mt -77.91 131.17 37.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 11.9 m-20 -156.11 154.57 31.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.2 pt-20 -33.83 -46.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -52.27 -53.95 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.7 m -57.74 149.08 22.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.1 p -162.13 163.83 28.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 p -111.6 143.98 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -128.37 167.48 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -106.26 106.64 17.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 73' ' ' LEU . 63.3 mt -75.89 154.67 84.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.613 0.721 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.16 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.65 103.34 15.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 154.09 44.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD2' ' NE1' ' A' ' 24' ' ' TRP . 26.9 t0 67.51 40.72 2.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.19 68.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -124.58 171.78 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -134.03 -45.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.9 87.89 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.8 mt -109.52 152.04 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 95' ' ' ILE . 43.1 p90 -159.35 133.75 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -122.34 148.72 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -108.38 128.17 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 21.2 mtpt -104.12 126.28 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -120.29 176.65 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.9 m-85 -29.82 -72.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -125.03 -26.87 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 21.5 mtmt -83.68 150.29 25.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.7 p -132.93 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 38.9 m-85 -139.58 120.95 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' OE2' HD13 ' A' ' 62' ' ' LEU . 33.7 tt0 -105.24 117.47 34.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 84' ' ' SER . 15.7 mt -120.77 154.36 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 45.4 t -124.61 129.68 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.33 140.36 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 t -72.86 -58.04 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 155.62 26.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -49.17 -42.51 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -47.99 -60.31 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -56.11 -53.6 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.78 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' GLU . 16.9 tt0 -54.75 -67.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' GLN . 35.2 mm-40 -37.28 -57.71 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.523 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 39.6 m95 -51.84 -67.86 0.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 72' ' ' PHE . 7.2 mt -43.58 -55.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -53.62 -46.31 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.41 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.3 mt -55.88 -55.21 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -48.56 -54.98 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.6 m -58.43 -49.74 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.6 m -46.55 -43.64 17.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.9 mt -67.63 -43.95 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -45.38 -44.68 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.9 mt -54.49 -36.15 63.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 mt -76.74 -29.15 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -60.94 -39.43 89.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 107' ' ' LEU . 3.4 mm? -49.86 -47.21 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.2 89.4 1.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.1 p -116.26 142.02 47.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.3 t -76.04 127.11 32.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 178.41 84.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' SER . 53.9 Cg_endo -69.74 -173.92 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.733 2.289 . . . . 0.0 112.321 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' PRO . 54.9 p 37.75 42.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 p -76.41 177.61 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -135.3 122.31 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 m -97.87 -58.18 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.38 100.92 2.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -76.18 -63.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -124.7 114.1 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 143.58 143.85 4.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.583 ' CG2' HG13 ' A' ' 30' ' ' VAL . 3.7 p -33.34 132.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.03 -43.62 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 24.3 tttm -129.43 156.23 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 2.3 pt20 -158.38 132.56 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.88 173.48 46.05 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -88.14 117.02 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.438 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 65.7 mtm -127.95 147.2 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mtp -92.67 110.05 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.14 137.7 33.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.9 tttp -80.81 96.42 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.29 169.12 24.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -83.2 47.03 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -134.32 174.38 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' LYS . 72.8 ttt180 -38.49 143.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' ARG . 18.7 mtpp -36.32 113.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -174.74 163.66 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 97.7 m95 -131.93 143.91 50.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -136.21 132.45 35.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.8 125.87 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -141.07 163.7 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 50.2 t-105 -89.07 133.47 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -121.58 127.07 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG13 ' CG2' ' A' ' 8' ' ' VAL . 98.6 t -110.95 95.43 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.09 120.1 15.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.631 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.3 mmtp -104.65 162.49 19.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.6 Cg_endo -69.82 -26.81 26.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -132.17 25.05 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HD23 ' A' ' 52' ' ' LEU . 2.4 tt -179.45 179.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.593 HG13 HD11 ' A' ' 53' ' ' LEU . 44.2 mt -147.59 105.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.7 t -98.58 167.27 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 24.5 p90 -153.81 118.39 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 12.5 m-85 -107.42 152.91 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.7 t -49.58 -43.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.61 179.3 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.9 pt-20 -84.65 33.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.2 -23.05 12.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.2 mt 62.8 42.96 7.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -111.19 -46.41 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.52 87.86 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -75.49 136.58 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 30.2 mmtt -89.43 -47.4 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.71 -151.04 7.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -160.12 137.54 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 81' ' ' PHE . 24.0 mt -107.45 94.98 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD23 HD11 ' A' ' 35' ' ' ILE . 26.2 mt -57.22 112.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD11 HG13 ' A' ' 36' ' ' ILE . 33.9 mt -79.47 138.25 37.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ASN . 29.0 t70 -159.83 148.42 17.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 3.1 pt-20 -34.37 -35.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 4.6 m-80 -63.92 -56.98 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.65 148.25 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.8 p -162.34 157.16 22.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 95' ' ' ILE . 10.6 p -107.02 147.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.56 155.82 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 p -97.4 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.55 HD11 ' CB ' ' A' ' 73' ' ' LEU . 48.5 mt -119.75 142.88 33.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.85 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.56 126.73 35.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HE3' HD13 ' A' ' 71' ' ' LEU . 11.4 ptpt -123.19 -46.72 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -110.17 58.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.83 36.8 92.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.8 mmtm -104.71 -176.32 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 3.1 mptp? -132.75 -58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.47 86.97 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 68' ' ' LYS . 7.7 mt -101.46 151.72 21.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -155.49 133.79 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.55 ' CB ' HD11 ' A' ' 62' ' ' LEU . 6.2 tt -116.77 142.43 46.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -104.56 128.53 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.638 ' HD3' HG22 ' A' ' 80' ' ' THR . 2.5 mmtp -106.23 150.4 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -143.1 175.7 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 56' ' ' ASN . 11.0 m-85 -33.73 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -117.8 -29.87 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -82.3 155.68 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.638 HG22 ' HD3' ' A' ' 75' ' ' LYS . 8.5 p -138.91 136.5 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.678 ' CD2' HD11 ' A' ' 51' ' ' ILE . 3.2 m-85 -126.25 143.49 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -126.28 132.92 51.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.6 mt -136.46 148.38 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 t -120.09 149.59 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.82 156.56 30.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -95.95 -48.07 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -108.38 139.03 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -45.99 -44.6 15.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -46.64 -55.78 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.47 -61.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 2.6 tmtt? -43.13 -67.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -49.02 -67.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 43.0 m95 -46.29 -63.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.538 HG23 ' CG1' ' A' ' 59' ' ' VAL . 6.8 mt -48.58 -41.08 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.5 -49.79 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.53 69.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.554 HG23 HD11 ' A' ' 36' ' ' ILE . 62.7 mt -58.12 -57.76 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -48.26 -56.61 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 m -57.89 -46.24 85.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.5 m -52.78 -32.1 41.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.69 -41.3 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.526 ' CE1' HD21 ' A' ' 107' ' ' LEU . 3.5 t-80 -50.11 -41.09 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.2 mt -57.95 -31.53 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.4 mt -78.15 -21.16 50.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 81.2 mttt -71.02 -37.5 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.3 mm? -55.23 -48.44 73.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.0 99.15 2.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.5 m -101.21 140.46 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -88.25 118.03 27.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 161.58 123.91 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 138.23 37.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -144.83 145.03 31.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.2 p -49.83 -45.34 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.6 p -71.55 131.96 44.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.839 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -127.03 -27.8 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.33 52.43 1.21 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 t -127.43 -41.21 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.794 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -89.19 45.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 121.17 -132.14 8.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.625 HG22 ' CG1' ' A' ' 30' ' ' VAL . 41.5 t -33.87 120.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 33' ' ' PRO . 51.1 mt -77.48 -60.45 2.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -126.67 153.98 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.73 135.85 9.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.35 168.62 40.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.67 101.75 12.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 110.969 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.526 ' HE2' ' CB ' ' A' ' 29' ' ' PHE . 53.7 mtm -110.24 162.02 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtp -109.65 110.7 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -103.85 147.86 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 12.2 ttpp -100.64 109.73 21.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.37 -81.74 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -38.42 128.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 tpt85 -41.47 -47.04 3.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -61.36 144.72 53.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -56.12 100.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -162.5 123.61 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.421 ' CE3' ' OG ' ' A' ' 84' ' ' SER . 61.4 m95 -104.94 145.32 30.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 p -138.93 123.41 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.52 144.73 46.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 28.0 mtm-85 -165.1 143.56 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 52.2 t-105 -71.11 135.98 47.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CB ' ' HE2' ' A' ' 14' ' ' MET . 10.6 m-85 -121.06 148.91 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.625 ' CG1' HG22 ' A' ' 8' ' ' VAL . 51.4 t -131.34 101.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 36' ' ' ILE . 29.7 tp -81.26 100.83 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.574 ' CB ' HG22 ' A' ' 35' ' ' ILE . 1.4 mmpt? -87.88 161.89 42.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.77 -22.85 31.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.616 2.21 . . . . 0.0 112.387 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -135.04 23.92 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.3 tt 179.93 177.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.423 HG12 HD12 ' A' ' 31' ' ' LEU . 43.2 mt -150.33 104.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 19.7 m -113.74 144.79 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 7.2 p90 -128.26 123.17 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -100.56 153.06 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -43.41 -41.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.43 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 3.9 m -140.55 -176.0 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.75 34.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -104.8 -26.18 12.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt 63.61 41.84 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -112.67 -44.21 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.41 92.37 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -75.25 144.58 42.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.56 -44.1 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -172.18 -159.75 19.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -154.12 135.42 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.669 HD11 ' CD2' ' A' ' 81' ' ' PHE . 69.0 mt -107.85 102.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.2 104.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 20.9 mt -70.33 139.03 51.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.3 m-20 -161.89 146.86 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 9.8 pt-20 -34.42 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.8 m120 -58.13 -57.14 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' O ' HD13 ' A' ' 102' ' ' ILE . 99.7 m -56.86 147.77 22.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.5 m -160.74 159.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG1' HG23 ' A' ' 95' ' ' ILE . 5.4 p -107.52 141.65 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.09 159.23 41.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.0 p -89.97 143.83 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 73' ' ' LEU . 20.1 mt -115.91 151.09 46.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -165.12 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.27 126.89 41.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.69 157.48 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 t70 44.71 34.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.33 45.64 94.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' CB ' HD11 ' A' ' 71' ' ' LEU . 27.1 mmtt -117.75 158.26 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.72 143.74 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.0 m 62.12 49.14 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.536 HD11 ' CB ' ' A' ' 68' ' ' LYS . 8.9 mt -85.79 145.87 27.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.0 p90 -146.88 136.34 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.943 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -123.82 151.3 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.8 t -108.38 128.43 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -104.87 117.39 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.65 176.7 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.0 m-85 -28.55 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -125.24 -31.18 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 19.9 mtmt -82.1 153.66 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -135.18 151.39 50.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 51' ' ' ILE . 24.7 m-85 -134.31 114.23 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -100.36 109.65 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.2 mt -115.24 152.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.421 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 2.5 p -125.53 133.1 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.28 178.12 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -111.91 -56.33 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -102.83 145.83 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -49.77 -44.26 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -53.4 -44.46 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -64.13 -59.92 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.28 -61.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 47.1 tt0 -55.47 -67.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.6 mm-40 -37.46 -50.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.45 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 37.6 m95 -55.92 -58.26 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.505 HG23 ' CG1' ' A' ' 59' ' ' VAL . 24.7 mt -53.66 -55.2 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -54.63 -44.62 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.2 -54.27 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.412 HG12 HD13 ' A' ' 31' ' ' LEU . 27.8 mt -58.18 -51.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -51.67 -52.85 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.1 m -59.55 -51.1 71.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.9 m -48.28 -41.41 27.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 57' ' ' CYS . 53.3 mt -63.63 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -59.39 -39.08 82.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.76 -25.64 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.06 -31.3 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 27.4 mttp -61.34 -42.14 98.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.0 mm? -43.65 -45.78 7.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 140.35 78.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.8 m -100.54 93.28 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' GLY . 89.3 p 41.35 42.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' SER . . . -37.74 153.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -48.24 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.68 2.253 . . . . 0.0 112.409 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' SER . 91.6 p -124.95 103.8 8.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 113' ' ' SER . 12.9 p -36.27 -50.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -91.67 -51.19 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.805 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 t -113.76 103.27 11.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.47 -179.35 49.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 p -147.25 128.5 14.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -141.27 149.73 41.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -51.33 -67.38 2.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' GLY . 97.1 t -34.24 118.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 33' ' ' PRO . 16.3 mt -89.6 -57.33 2.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.9 tttp -127.72 159.75 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.32 136.42 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.63 164.85 33.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -85.51 102.97 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.519 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 29.3 mtm -109.88 155.99 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.67 ' HE2' ' C ' ' A' ' 24' ' ' TRP . 22.4 mtp -104.47 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.23 152.47 19.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.515 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 34.4 tttt -96.95 112.52 24.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -43.2 141.16 2.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.454 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 14.6 p-80 -59.37 -53.26 60.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.454 ' N ' ' CG ' ' A' ' 19' ' ' HIS . 10.1 tpt180 -77.91 -63.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -83.85 135.36 34.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -81.87 44.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -99.42 166.79 11.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.67 ' C ' ' HE2' ' A' ' 15' ' ' MET . 93.5 m95 -122.92 133.55 54.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.552 ' N ' ' HE2' ' A' ' 15' ' ' MET . 8.9 t -138.34 137.52 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -70.96 103.35 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -121.35 132.19 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -63.78 144.03 57.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.8 m-85 -130.26 144.39 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -127.6 96.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HG ' HD12 ' A' ' 9' ' ' LEU . 23.7 tp -71.95 100.24 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.638 ' CB ' HG22 ' A' ' 35' ' ' ILE . 41.9 mmtt -81.3 163.48 54.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.548 0.69 . . . . 0.0 110.92 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.762 ' HA ' HD11 ' A' ' 9' ' ' LEU . 54.0 Cg_endo -69.76 -27.15 26.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' PRO . 1.5 m-20 -133.73 25.16 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.671 HD11 HD23 ' A' ' 52' ' ' LEU . 1.7 tt -178.61 -178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -148.7 104.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 m -113.88 145.33 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 9.3 p90 -124.77 140.25 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 23.1 m-85 -117.85 156.75 27.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.7 t -46.67 -48.61 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -133.98 -174.93 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -84.18 34.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -107.15 -29.31 9.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 16.4 mt 67.03 45.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 -40.33 3.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -112.24 85.33 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 29.0 ttpt -63.04 150.73 41.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -108.54 -43.34 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.91 -168.12 37.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -148.06 145.67 28.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 38.6 mt -116.85 98.05 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.671 HD23 HD11 ' A' ' 35' ' ' ILE . 45.2 mt -51.96 112.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.72 132.86 36.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -154.25 147.05 24.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 6.2 pt-20 -34.43 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.3 m-80 -60.0 -52.64 64.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.429 ' O ' HG21 ' A' ' 102' ' ' ILE . 90.8 m -52.74 133.43 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.1 m -141.41 159.92 41.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.7 p -118.92 140.45 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -133.19 159.52 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -102.42 120.5 40.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 73' ' ' LEU . 17.9 mt -93.01 150.91 40.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.78 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.367 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.95 115.69 28.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 147.65 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 52.3 36.88 20.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.51 46.79 74.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.619 ' CB ' HD11 ' A' ' 71' ' ' LEU . 35.4 mmtt -121.14 166.32 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -148.51 143.35 26.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.17 49.67 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' CB ' ' A' ' 68' ' ' LYS . 12.2 mt -88.76 139.76 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.591 ' HB3' HD11 ' A' ' 95' ' ' ILE . 33.9 p90 -140.38 129.92 24.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.7 tt -115.5 142.39 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.5 132.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.16 144.23 44.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.9 m -132.29 176.73 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 10.6 m-85 -30.25 -70.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.83 -29.33 4.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.422 ' NZ ' ' HB2' ' A' ' 79' ' ' LYS . 1.3 mtmp? -84.28 153.31 23.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.9 p -139.28 149.64 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 22.9 m-85 -139.52 145.83 39.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.71 125.64 38.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 6.6 mt -130.86 147.07 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 15' ' ' MET . 97.8 p -116.64 132.09 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.06 163.48 16.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.4 p -88.14 -33.96 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.34 175.57 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.74 -36.93 77.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -55.52 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -54.0 -53.26 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -66.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' GLU . 6.1 tp60 -56.77 -64.97 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' GLN . 29.7 mt-10 -37.34 -51.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.479 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 29.3 m95 -61.16 -66.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 72' ' ' PHE . 8.5 mt -42.06 -54.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.91 -39.26 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -55.16 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 mt -56.65 -45.37 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.49 -48.73 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 m -64.18 -49.1 73.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.0 m -49.71 -44.34 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 57' ' ' CYS . 29.1 mt -69.09 -43.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.407 ' CE1' HD21 ' A' ' 107' ' ' LEU . 9.3 t-80 -48.26 -39.22 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.4 mt -60.14 -37.97 81.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 54' ' ' ASP . 29.7 mt -67.18 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -63.99 -45.9 86.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 103' ' ' HIS . 2.3 mm? -45.68 -47.78 15.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.08 -62.58 2.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.5 m -105.99 100.94 10.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 t -91.03 111.97 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.63 160.53 17.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -4.01 13.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.647 2.232 . . . . 0.0 112.329 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.8 m -94.3 144.98 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -67.74 147.21 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 p 43.67 43.5 4.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -81.21 147.19 30.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.72 36.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 p -44.39 -55.18 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.815 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -125.65 93.93 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 144.04 -157.2 27.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 93.4 t -34.2 106.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 33' ' ' PRO . 41.0 mt -78.38 -57.29 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.5 tttp -127.97 156.84 42.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -158.52 136.85 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.85 159.65 20.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.557 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -74.43 121.58 21.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.44 ' CE ' HG21 ' A' ' 83' ' ' ILE . 67.0 mtm -131.68 148.77 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.0 mtp -92.35 114.09 26.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -102.78 128.97 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.509 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 39.9 tttm -74.62 114.86 13.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.51 155.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -45.82 -61.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -125.83 39.35 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -131.28 127.26 37.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -81.74 46.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -124.59 146.41 49.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.5 m95 -111.89 122.59 48.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -124.39 135.2 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.6 133.88 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -152.69 159.3 43.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.536 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 38.6 t-105 -82.33 136.8 34.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 12.3 m-85 -125.51 127.76 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 8' ' ' VAL . 98.9 t -113.16 102.52 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.515 HD13 HG12 ' A' ' 98' ' ' ILE . 17.8 tp -79.76 100.08 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' CB ' HG22 ' A' ' 35' ' ' ILE . 42.2 mmtt -82.54 163.57 51.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.82 -24.59 29.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 24.36 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.603 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.02 178.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.674 HG13 HD11 ' A' ' 53' ' ' LEU . 62.3 mt -148.56 104.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 21.3 m -112.66 132.87 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 3.0 p90 -116.34 116.81 28.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 39.9 m-85 -92.58 141.34 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.54 -24.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -130.55 169.77 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.3 pt-20 -90.28 30.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -113.27 -15.19 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 23.8 mt 67.75 29.56 6.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -93.79 -42.36 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.01 107.77 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 21.1 ttpt -87.02 130.24 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.63 -43.32 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.82 -160.56 19.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.47 150.52 28.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.776 HD11 ' CD2' ' A' ' 81' ' ' PHE . 34.6 mt -126.02 94.67 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 35' ' ' ILE . 37.0 mt -53.96 105.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.674 HD11 HG13 ' A' ' 36' ' ' ILE . 34.6 mt -76.73 133.61 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.2 t70 -162.94 150.65 13.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 54' ' ' ASP . 15.7 pt-20 -28.91 -42.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.9 m-80 -57.36 -55.9 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' ASP . 69.2 m -57.63 148.34 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.532 ' O ' HG13 ' A' ' 74' ' ' VAL . 31.5 p -161.59 165.88 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.45 138.17 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -126.95 143.57 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.6 p -82.51 122.0 27.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.657 HD11 ' CB ' ' A' ' 73' ' ' LEU . 91.3 mt -97.49 153.81 38.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' O ' HD12 ' A' ' 71' ' ' LEU . 54.0 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.84 108.89 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HD3' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -142.42 150.65 40.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 72.72 34.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.22 48.75 62.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG3' HD11 ' A' ' 71' ' ' LEU . 66.4 mmtt -115.56 176.82 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.5 mptp? -130.86 -46.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 m -134.22 97.89 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 65' ' ' LYS . 33.4 mt -106.72 168.03 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.533 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 14.9 p90 -175.1 133.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.657 ' CB ' HD11 ' A' ' 62' ' ' LEU . 2.8 tt -125.81 155.41 41.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 58' ' ' CYS . 56.7 t -111.06 128.33 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -100.73 118.77 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -112.57 176.8 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.8 m-85 -28.39 -74.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -125.04 -24.9 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -87.67 155.14 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.439 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 64.3 p -132.47 160.83 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.776 ' CD2' HD11 ' A' ' 51' ' ' ILE . 32.6 m-85 -147.12 113.41 5.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.55 ' OE2' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -98.32 126.39 43.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.533 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 12.8 mt -130.29 142.93 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t -114.21 146.44 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.35 147.21 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -75.43 -58.62 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -113.4 145.1 41.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -41.95 -42.47 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -56.74 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -59.77 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -42.03 -65.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 93' ' ' GLU . 20.8 tt0 -51.63 -70.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' GLN . 9.7 mm-40 -37.01 -56.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.506 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 40.2 m95 -50.4 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.7 mt -44.85 -47.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.45 -44.61 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 -55.97 16.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.515 HG12 HD13 ' A' ' 31' ' ' LEU . 28.4 mt -56.04 -52.86 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -49.94 -55.43 14.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.9 m -57.52 -42.1 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.2 m -53.31 -42.25 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.51 -33.88 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.454 ' CE1' HD21 ' A' ' 107' ' ' LEU . 9.8 t-80 -53.56 -36.07 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.2 mt -71.58 -34.92 70.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 54' ' ' ASP . 4.8 mt -62.6 -25.51 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.48 ' HG3' ' CB ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -76.32 -43.65 40.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.454 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.1 mm? -47.3 -38.31 12.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -163.86 100.06 0.17 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.5 t -55.1 141.08 35.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -94.74 94.59 8.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 162.4 -144.6 9.82 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 142.64 48.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 m -68.25 147.19 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -80.08 -60.58 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -83.51 137.46 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -135.98 149.74 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.0 47.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -94.81 170.0 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -91.05 118.15 30.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.13 -120.45 5.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.66 HG21 HG13 ' A' ' 30' ' ' VAL . 7.5 p -73.58 147.01 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.5 -49.12 5.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 11.6 tttp -129.45 152.44 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.92 134.47 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.64 152.01 10.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -66.48 106.45 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.437 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 56.6 mtm -112.95 151.71 30.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.8 mtp -91.41 112.35 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' NZ ' ' CE2' ' A' ' 38' ' ' TYR . 21.2 tttt -100.62 118.58 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 16.7 ttpp -47.97 -19.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.02 162.17 22.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.458 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 15.5 p-80 -42.42 -57.06 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' N ' ' CG ' ' A' ' 19' ' ' HIS . 3.8 tpp85 -134.52 -46.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -50.33 154.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' ASN . 17.1 pttp -80.39 -37.92 31.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' LYS . 18.3 t30 -37.25 116.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.514 ' CZ2' ' HB2' ' A' ' 17' ' ' LYS . 77.3 m95 -85.51 142.42 29.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -149.06 140.17 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.6 150.95 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -167.38 145.59 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 55.7 t-105 -72.62 132.12 43.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 12.9 m-85 -117.71 139.93 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 HG21 ' A' ' 8' ' ' VAL . 53.9 t -124.87 90.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.527 HD13 HG12 ' A' ' 98' ' ' ILE . 9.8 tp -70.94 106.01 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' CB ' HG22 ' A' ' 35' ' ' ILE . 2.4 mptt -91.12 165.44 21.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -25.64 28.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -134.73 25.48 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.59 HG22 ' CB ' ' A' ' 32' ' ' LYS . 4.7 tt -179.32 174.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -149.43 105.27 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 p -103.92 170.12 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 4.3 p90 -148.45 125.43 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -111.29 134.88 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' CG1' ' HD3' ' A' ' 48' ' ' LYS . 11.5 m -47.53 -19.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -140.66 172.44 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 12.4 pt-20 -90.08 27.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -104.33 -12.1 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.2 mt 58.02 37.78 26.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -110.46 -40.8 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -105.34 90.96 3.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.9 141.49 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.6 mmmt -103.11 -17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.93 -165.21 35.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -152.71 140.11 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 12.9 mt -105.71 93.91 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 35' ' ' ILE . 17.9 mt -55.38 105.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.567 HD22 HG12 ' A' ' 102' ' ' ILE . 12.8 mt -71.21 147.36 48.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HA ' HD13 ' A' ' 105' ' ' LEU . 19.0 t70 -174.04 148.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' OE2' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -34.37 -39.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.466 ' N ' ' OE2' ' A' ' 55' ' ' GLU . 3.8 m120 -57.54 -54.53 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.14 155.14 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 p -166.43 156.78 12.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.6 147.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -137.27 149.62 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 m -97.18 126.3 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 73' ' ' LEU . 19.3 mt -109.86 146.44 34.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -168.94 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.12 110.82 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HB3' HD13 ' A' ' 71' ' ' LEU . 14.4 ttmm -109.33 141.5 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 16.3 t70 34.66 46.34 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.49 55.98 7.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.654 ' CB ' HD11 ' A' ' 71' ' ' LEU . 15.2 mmtp -130.0 174.1 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -147.65 152.51 37.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.5 m 46.04 53.57 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.654 HD11 ' CB ' ' A' ' 68' ' ' LYS . 2.8 mt -86.84 166.14 15.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 28.5 p90 -167.66 134.99 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 62' ' ' LEU . 4.2 tt -127.94 147.29 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.35 128.46 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -104.14 122.47 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -113.93 176.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 12.5 m-85 -28.48 -72.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -125.31 -28.34 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -84.36 152.71 23.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 31.9 p -131.07 159.37 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.9 m-85 -145.03 122.05 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' CD ' ' HE3' ' A' ' 17' ' ' LYS . 7.8 tt0 -110.64 120.31 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.4 mt -126.31 151.43 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.9 t -122.61 131.59 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.29 158.56 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -81.97 -59.03 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -118.37 167.12 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.23 -32.41 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.52 -60.24 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.6 mptm? -54.59 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LYS . 7.4 tmtt? -36.39 -64.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' TRP . 1.9 tp-100 -62.36 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' GLN . 32.3 mm-40 -37.66 -31.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.44 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 34.5 m95 -79.77 -65.75 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.419 HD11 ' CB ' ' A' ' 72' ' ' PHE . 11.4 mt -45.83 -42.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -58.29 -52.83 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.21 60.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.527 HG12 HD13 ' A' ' 31' ' ' LEU . 30.5 mt -57.16 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -43.36 -57.19 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 t -55.86 -53.13 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.0 m -43.82 -43.12 6.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.567 HG12 HD22 ' A' ' 53' ' ' LEU . 54.0 mt -71.21 -47.3 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -45.75 -41.84 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.6 mt -57.25 -33.42 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 54' ' ' ASP . 20.8 mt -73.22 -34.92 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -57.91 -43.7 86.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.2 mm? -45.86 -53.5 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.05 162.49 9.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.444 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -167.63 150.1 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.802 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t 46.08 41.92 9.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -133.49 151.7 20.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 159.86 51.84 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' SER . 94.5 p -66.46 103.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' SER . 71.5 m -36.87 143.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 p -158.69 153.42 24.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -135.9 141.32 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.45 117.74 0.94 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 57.9 m -105.34 77.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 32.4 t 34.36 39.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.03 -126.34 1.87 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.794 ' CG2' HG13 ' A' ' 30' ' ' VAL . 7.1 p -76.49 133.28 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 33' ' ' PRO . 9.1 mt -79.09 -51.29 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 26.8 tttp -124.84 156.8 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 pt20 -158.58 132.89 7.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 176.67 145.67 5.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.3 118.06 8.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.378 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.1 mtm -127.98 151.94 48.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 mtp -95.7 118.01 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -103.16 139.54 38.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.9 tttp -71.3 121.02 17.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.19 -121.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -84.28 171.63 12.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -38.39 -34.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 12.3 ttm180 -60.34 136.63 58.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 98.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -150.73 139.12 20.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.6 m95 -132.02 133.1 44.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.0 p -141.07 135.79 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.1 149.91 47.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -165.93 141.35 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 45.7 t-105 -67.39 135.69 53.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.67 130.95 53.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.794 HG13 ' CG2' ' A' ' 8' ' ' VAL . 97.8 t -116.45 95.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.548 HD12 HG12 ' A' ' 36' ' ' ILE . 37.3 tp -75.33 97.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.604 ' CB ' HG22 ' A' ' 35' ' ' ILE . 35.4 mmtt -79.6 163.8 56.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.74 -25.46 28.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -134.95 25.58 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.604 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.74 178.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.548 HG12 HD12 ' A' ' 31' ' ' LEU . 67.3 mt -149.38 104.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.1 m -108.57 154.3 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 11.5 p90 -130.75 127.91 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.5 m-85 -110.74 124.19 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -33.61 -33.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' TYR . 7.5 t -124.88 -175.03 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.0 pt-20 -104.36 28.86 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -101.46 -11.17 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt 60.08 33.56 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -109.31 -41.9 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.9 t0 -104.53 107.48 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 30.4 ttpt -100.6 144.6 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 48.1 mmtt -101.32 -45.53 5.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.18 -179.03 41.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.51 133.51 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.568 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 16.5 mt -97.55 97.74 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.8 mt -54.84 108.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 mt -76.02 150.12 37.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' GLU . 1.2 p30 -172.5 148.82 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 8.5 pt-20 -33.76 -51.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 m120 -49.75 -53.66 23.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.619 ' O ' HD13 ' A' ' 102' ' ' ILE . 62.0 m -54.74 139.61 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.7 t -153.95 169.64 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 95' ' ' ILE . 7.2 p -120.48 150.02 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -133.55 162.53 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -102.99 113.15 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 73' ' ' LEU . 19.1 mt -87.62 149.94 47.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -168.79 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -83.65 128.13 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.25 158.71 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 50.01 41.04 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.87 54.12 33.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HZ3' ' CB ' ' A' ' 84' ' ' SER . 32.9 mmtp -134.41 169.74 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -131.75 -41.31 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m -121.6 91.49 3.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 84' ' ' SER . 22.0 mt -113.24 153.27 28.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' ILE . 24.3 p90 -157.72 134.08 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 82' ' ' GLU . 4.6 tt -125.59 149.51 48.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.88 128.63 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -105.45 122.36 45.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.5 176.63 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.0 m-85 -30.1 -71.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -125.47 -26.01 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -84.48 151.1 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.407 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 34.7 p -133.06 154.92 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 32.8 m-85 -145.41 109.2 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.843 ' HB2' HD12 ' A' ' 73' ' ' LEU . 21.9 tt0 -94.33 119.79 33.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' PHE . 12.5 mt -121.29 151.03 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.435 ' HA ' HD23 ' A' ' 71' ' ' LEU . 31.6 t -116.28 141.0 48.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.96 160.65 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.8 t -87.2 -56.71 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.11 157.23 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -41.04 -38.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -51.25 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -53.42 -57.09 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HD3' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -45.82 -63.51 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 26.0 tt0 -58.66 -65.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 23.3 mm-40 -37.72 -55.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.511 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -56.03 -57.04 13.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.436 HG23 ' CG1' ' A' ' 59' ' ' VAL . 14.4 mt -50.05 -54.72 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -54.92 -42.8 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.87 -57.52 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.445 HG12 HD13 ' A' ' 31' ' ' LEU . 60.5 mt -57.83 -55.06 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -47.57 -56.67 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -57.47 -47.63 81.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -48.14 -37.69 16.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 57' ' ' CYS . 33.1 mt -68.11 -43.25 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.443 ' CE1' HD21 ' A' ' 107' ' ' LEU . 7.9 t-80 -51.1 -40.26 58.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.27 -34.89 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.45 -32.88 68.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 61.8 mttt -58.87 -45.56 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.443 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.5 mm? -42.53 -51.82 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.37 119.96 5.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 t -61.89 152.0 33.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 86.1 p -172.81 176.65 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.98 149.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 117.63 5.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.395 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.8 t -54.34 -57.21 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -136.77 129.55 30.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -128.27 138.46 52.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m 45.63 41.98 7.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.87 91.38 0.33 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -80.79 114.53 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -165.96 124.37 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.08 -133.71 11.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 30' ' ' VAL . 90.3 t -43.44 108.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -87.36 -54.46 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.9 tttp -124.11 153.17 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -158.46 127.84 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.63 162.86 33.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 4.5 m-85 -81.89 112.4 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.488 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 71.0 mtm -121.63 157.2 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mtp -97.18 122.13 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -111.02 128.32 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.1 tttm -66.97 118.11 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -41.41 143.36 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -51.22 -57.49 8.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -121.35 40.45 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -146.47 142.6 28.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -92.0 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -124.63 140.07 53.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 95.4 m95 -99.3 139.77 34.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.7 p -141.99 140.35 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 1.5 tp10 -73.12 137.09 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -148.27 141.45 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -77.1 125.08 28.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -108.94 148.02 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 8' ' ' VAL . 98.6 t -133.08 87.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.07 98.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.633 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.2 mmtp -81.18 163.15 56.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.854 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.547 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.75 -25.67 28.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.244 . . . . 0.0 112.399 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.01 26.35 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.638 HD11 HD23 ' A' ' 52' ' ' LEU . 2.4 tt -179.91 179.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG13 HD11 ' A' ' 53' ' ' LEU . 61.5 mt -148.83 105.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -108.86 170.04 8.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -150.07 117.52 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 9.3 m-85 -91.88 147.53 22.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 40' ' ' VAL . 2.3 p -56.79 -16.56 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -150.16 174.84 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -87.54 28.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.16 -13.33 17.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 20.7 mt 52.71 50.26 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -129.2 -38.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 40' ' ' VAL . 3.8 m-20 -106.52 85.03 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.545 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 7.9 ttmt -63.86 142.92 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.59 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 50' ' ' ASP . . . -169.56 -152.66 8.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -163.07 137.32 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 81' ' ' PHE . 89.5 mt -114.67 89.9 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 35' ' ' ILE . 26.4 mt -51.67 105.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 HG13 ' A' ' 36' ' ' ILE . 13.7 mt -71.62 142.65 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HA ' HD13 ' A' ' 105' ' ' LEU . 10.8 t70 -167.24 153.09 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 5.2 pt-20 -37.68 -50.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -49.93 -47.29 52.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.505 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 93.2 m -64.76 140.19 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 74' ' ' VAL . 23.0 m -156.29 165.26 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.728 HG11 HG23 ' A' ' 95' ' ' ILE . 6.7 p -105.58 149.33 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.5 125.32 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 p -74.43 129.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' ' 73' ' ' LEU . 62.8 mt -119.62 142.41 32.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.594 0.712 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.44 117.09 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.864 ' HD3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.36 -27.48 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' LYS . 10.8 t0 -128.51 76.61 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 35.32 30.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.717 ' HB2' HD11 ' A' ' 71' ' ' LEU . 23.2 mmtm -116.0 169.89 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -137.72 143.07 41.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.8 m 61.79 50.15 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' A' ' 65' ' ' LYS . 6.8 mt -82.74 150.31 26.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 46.8 p90 -151.09 135.21 16.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.648 ' HB3' HD11 ' A' ' 62' ' ' LEU . 5.1 tt -122.22 142.8 50.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 58' ' ' CYS . 92.3 t -104.7 135.27 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -110.72 130.72 55.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -124.51 176.42 6.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.6 m-85 -31.4 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -123.71 -28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -81.95 151.55 27.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.0 p -134.41 147.14 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.675 ' CD2' HD11 ' A' ' 51' ' ' ILE . 40.8 m-85 -137.67 130.38 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -117.73 125.41 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 7.3 mt -128.94 156.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.3 p -115.71 154.77 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 91' ' ' LYS . . . -120.02 152.24 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -82.24 -54.62 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.97 175.03 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -61.82 -30.93 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -61.52 -64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -47.4 -60.14 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.69 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' GLU . 29.5 tt0 -55.39 -65.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' GLN . 36.7 mt-10 -37.55 -44.65 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -66.93 -58.98 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.728 HG23 HG11 ' A' ' 59' ' ' VAL . 4.8 mt -51.88 -56.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -49.99 -41.67 47.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.65 -62.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 36' ' ' ILE . 18.1 mt -50.77 -52.75 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.28 -52.64 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.3 m -60.2 -48.42 81.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.1 m -49.07 -42.19 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 57' ' ' CYS . 38.7 mt -66.06 -47.46 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.467 ' CE1' HD21 ' A' ' 107' ' ' LEU . 8.6 t-80 -42.91 -44.19 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.81 -36.6 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 54' ' ' ASP . 28.7 mt -75.42 -32.74 60.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 69.2 mttt -57.0 -42.49 80.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.467 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.9 mm? -42.53 -51.46 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 67.93 -161.06 49.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' SER . 18.7 m -130.22 171.41 12.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.884 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' SER . 73.3 p -37.46 145.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.89 -153.41 16.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 164.77 33.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.3 p -146.48 176.52 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.6 p -78.88 142.99 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -108.23 42.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -81.2 95.04 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.44 149.56 18.76 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.5 m -52.89 -46.21 67.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 10.1 p -34.54 147.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -53.14 -61.61 6.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.589 ' HB ' HG13 ' A' ' 30' ' ' VAL . 1.3 p -33.61 128.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.362 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 33' ' ' PRO . 7.4 mt -89.7 -51.35 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -122.35 153.68 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -158.85 132.64 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.38 170.88 44.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.7 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.954 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtm -114.49 151.47 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -98.88 112.38 24.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -96.91 142.91 28.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.7 tttp -80.32 108.61 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.77 -55.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -48.04 95.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ARG . 4.2 tpm_? 40.57 42.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' ARG . 6.6 tpp180 34.36 41.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -133.17 -58.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -88.32 160.21 17.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.507 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 89.3 m95 -116.79 145.79 43.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -133.44 138.92 46.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.35 131.27 40.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -145.78 144.84 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 33.8 t-105 -74.51 138.95 43.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 21.7 m-85 -127.5 136.85 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.589 HG13 ' HB ' ' A' ' 8' ' ' VAL . 44.2 t -120.37 94.4 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.1 96.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.642 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.9 mmtp -80.25 163.06 59.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.571 0.701 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.76 -26.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 27.44 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.642 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt 179.75 179.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG13 HD11 ' A' ' 53' ' ' LEU . 30.0 mt -148.71 105.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -112.41 133.9 54.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 6.7 p90 -119.18 116.76 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -91.17 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.6 -28.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -137.57 171.05 15.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.5 pt-20 -87.3 23.83 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.0 -21.6 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.5 mt 70.52 42.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -108.59 -47.53 3.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.69 98.26 6.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.92 138.44 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -79.74 -40.12 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.63 -169.6 42.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.548 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.05 143.46 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.574 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 86.1 mt -121.64 96.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.6 mt -59.87 109.79 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 36' ' ' ILE . 33.2 mt -79.7 142.41 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.7 t70 -170.81 152.59 3.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 16.9 pt-20 -32.68 -43.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 2.2 m-80 -55.92 -58.54 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.421 ' O ' HD13 ' A' ' 102' ' ' ILE . 87.3 m -58.95 143.44 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.545 ' O ' HG13 ' A' ' 74' ' ' VAL . 28.7 p -157.27 158.36 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.479 HG23 HG22 ' A' ' 74' ' ' VAL . 9.2 p -112.5 140.22 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -132.91 166.19 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.7 p -96.87 140.7 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.949 HD11 ' HB2' ' A' ' 73' ' ' LEU . 28.7 mt -110.91 153.5 43.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -173.03 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.14 119.71 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 12.0 ptpt -147.35 166.13 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 t70 41.43 41.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.02 51.08 58.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HG3' HD11 ' A' ' 71' ' ' LEU . 37.9 mmtm -117.84 174.76 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -133.86 -41.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.5 m -132.71 97.67 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 68' ' ' LYS . 15.6 mt -113.61 158.24 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.625 ' HB3' HD11 ' A' ' 95' ' ' ILE . 32.2 p90 -159.09 129.98 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.949 ' HB2' HD11 ' A' ' 62' ' ' LEU . 7.8 tt -117.89 146.72 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 58' ' ' CYS . 86.3 t -112.26 128.44 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.57 ' HD2' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -103.44 136.11 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.4 176.11 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 14.2 m-85 -33.28 -72.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -120.33 -31.95 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 166.18 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.5 p -142.06 161.2 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 80.2 m-85 -149.36 126.56 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -113.54 120.87 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 23.3 mt -123.14 154.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.459 ' N ' HG22 ' A' ' 83' ' ' ILE . 44.1 t -124.12 135.24 53.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -101.25 154.6 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -76.75 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -114.74 159.77 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 15.8 ptpt -48.74 -36.76 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 33.1 tttt -54.07 -64.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -52.77 -49.72 64.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 6.9 tmtt? -48.93 -57.21 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.33 -65.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -40.95 -47.9 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -62.96 -62.35 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 72' ' ' PHE . 15.2 mt -47.82 -57.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.37 -50.94 68.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.11 -48.6 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.11 -48.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -48.34 -57.9 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.5 t -56.51 -44.97 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.1 m -47.57 -40.84 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 57' ' ' CYS . 19.5 mt -74.52 -45.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.535 ' CE1' HD21 ' A' ' 107' ' ' LEU . 7.2 t-80 -44.78 -49.18 10.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.2 mt -49.14 -36.03 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 mt -74.92 -39.59 61.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.483 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 85.1 mttt -50.69 -41.3 55.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.535 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.3 mm? -47.2 -49.21 23.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.56 144.11 27.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.9 p -116.86 153.51 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.9 t -124.32 142.17 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.5 135.02 2.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.85 15.65 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.287 . . . . 0.0 112.306 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -121.91 163.97 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 m -109.0 174.26 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -67.06 117.8 9.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.388 . . . . 0.0 110.829 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -145.77 130.72 18.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.95 84.18 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -84.86 137.27 33.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -79.03 145.45 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.56 -108.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.707 ' CG2' HG13 ' A' ' 30' ' ' VAL . 5.4 p -60.49 123.74 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 mt -79.07 -45.11 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 28.8 tttm -129.17 155.67 45.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 4.2 pt20 -158.52 134.45 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.67 147.29 6.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.451 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 15.2 m-85 -64.76 112.12 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.552 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 24.6 mtm -115.89 163.03 16.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.4 mtp -111.52 111.82 23.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -101.72 137.95 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 33.3 tttm -79.78 102.53 9.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.72 -101.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -134.46 -44.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -39.36 157.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' LYS . 18.0 mtp-105 -72.21 120.16 17.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' ARG . 38.9 mtmt 34.48 46.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.7 80.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 70.0 m95 -68.52 166.74 16.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -147.98 136.86 21.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 12.1 tt0 -77.69 142.02 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -157.45 137.19 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 53.9 t-105 -67.44 114.64 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 15.6 m-85 -100.17 123.32 44.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG13 ' CG2' ' A' ' 8' ' ' VAL . 95.1 t -109.43 96.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 36' ' ' ILE . 46.5 tp -72.21 112.67 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.62 ' CB ' HG22 ' A' ' 35' ' ' ILE . 25.3 mmtt -96.59 163.68 19.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.544 0.688 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.0 Cg_endo -69.76 -26.19 27.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -135.01 26.95 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.62 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.1 tt 179.83 178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.576 HG12 HD12 ' A' ' 31' ' ' LEU . 87.6 mt -149.29 105.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.8 p -104.31 169.32 8.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.11 117.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 56.0 m-85 -103.67 125.01 49.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -34.5 -32.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.6 t -126.09 176.18 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 20.4 pt-20 -97.33 31.51 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.04 -8.83 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt 57.82 37.01 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -110.31 -46.0 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.0 t0 -103.34 113.36 26.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -101.19 147.12 26.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -106.56 -40.94 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.99 -172.94 37.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -146.8 131.3 17.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.806 0.336 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 33.3 mt -99.4 94.24 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 35' ' ' ILE . 19.7 mt -55.86 108.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 35' ' ' ILE . 19.4 mt -72.23 128.68 36.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HA ' HD13 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -139.15 141.34 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' ASP . 16.6 pt-20 -33.69 -40.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 5.3 m120 -62.77 -55.66 24.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' O ' HD13 ' A' ' 102' ' ' ILE . 52.2 m -42.99 146.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.458 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.2 t -157.53 165.05 36.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 95' ' ' ILE . 7.3 p -122.42 144.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -136.3 164.69 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.5 p -103.72 133.0 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD11 ' CB ' ' A' ' 73' ' ' LEU . 63.1 mt -113.85 146.1 34.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.518 ' O ' HD12 ' A' ' 71' ' ' LEU . 53.6 Cg_endo -69.72 -169.01 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.36 125.66 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 9.2 ptpp? -118.58 -39.53 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 t70 -134.25 78.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 47.97 44.99 25.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HG3' HD21 ' A' ' 71' ' ' LEU . 55.8 mmtt -109.54 176.89 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.23 -55.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 91' ' ' LYS . 53.2 m -124.76 92.44 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 63' ' ' PRO . 15.6 mt -100.6 156.99 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.484 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 32.3 p90 -158.34 132.13 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 62' ' ' LEU . 7.0 tt -120.39 153.86 35.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 58' ' ' CYS . 95.2 t -114.37 128.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -108.62 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -112.32 176.43 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 12.3 m-85 -31.45 -68.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.28 -32.7 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.33 160.05 22.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 45.9 p -143.7 159.01 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 23.7 m-85 -143.91 129.71 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -111.72 122.74 48.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 14.3 mt -130.13 152.61 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 83' ' ' ILE . 34.0 t -124.12 135.82 53.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.95 154.69 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.6 t -89.3 -48.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.39 147.7 28.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -55.39 -43.99 75.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -56.77 -38.73 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' CE ' ' HE1' ' A' ' 94' ' ' TRP . 14.2 mtpt -62.81 -58.47 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' CB ' ' HB3' ' A' ' 70' ' ' CYS . 8.4 tmtt? -46.61 -59.69 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -55.63 -58.94 5.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -45.08 -59.73 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 43.5 m95 -46.48 -62.69 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.617 HG23 HG13 ' A' ' 59' ' ' VAL . 16.6 mt -49.29 -49.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -56.57 -42.96 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.18 -56.46 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.7 mt -55.21 -50.77 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -50.25 -50.36 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.48 ' CG2' HD13 ' A' ' 53' ' ' LEU . 61.4 m -50.62 -48.51 57.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 57' ' ' CYS . 37.4 mt -61.49 -47.22 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -43.17 -40.66 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.26 -37.87 72.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 54' ' ' ASP . 14.7 mt -67.48 -34.24 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -57.07 -45.52 83.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' GLY . 4.1 mm? -42.73 -44.01 4.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -35.62 -84.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 t -109.35 117.67 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 m -100.02 -51.16 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 136.3 -127.36 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -177.99 2.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 m -78.92 131.35 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 t -93.43 160.21 14.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -77.15 175.28 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -151.56 109.14 3.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.38 -177.76 41.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 p -118.64 87.39 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -67.86 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -176.01 -175.85 43.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.571 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.7 p -33.92 129.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.09 -47.99 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 19.8 tttp -123.51 155.52 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.6 137.26 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.91 165.53 34.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 26' ' ' GLU . 4.9 m-85 -82.33 102.2 11.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 mtm -110.23 154.43 23.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 24' ' ' TRP . 74.7 mtp -102.73 115.2 30.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -99.52 127.12 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 20.0 tttm -70.44 120.85 16.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.18 167.91 52.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -55.2 -49.54 71.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ARG . 12.2 tpp180 -40.43 156.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' ARG . 13.1 ttt-85 -35.43 -49.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.44 134.64 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -174.96 109.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 98.8 m95 -109.88 125.46 52.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -134.09 136.83 44.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 32.3 tt0 -72.09 100.48 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -116.67 132.08 56.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.5 t-105 -63.44 130.49 44.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -118.31 129.8 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG13 ' CG2' ' A' ' 8' ' ' VAL . 84.7 t -114.73 95.02 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.47 100.63 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.5 mmtp -83.72 162.51 52.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.541 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.79 -24.81 29.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.25 25.12 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.624 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.9 tt -179.78 178.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.478 HG13 HD11 ' A' ' 53' ' ' LEU . 44.1 mt -148.22 105.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -104.51 170.44 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.28 116.46 5.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 47' ' ' LYS . 53.5 m-85 -100.8 151.11 22.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -42.31 -48.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -131.86 -174.82 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.13 33.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -34.4 11.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.6 mt 69.85 41.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -118.79 -40.48 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.72 105.73 14.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 16.0 ttmt -81.7 152.53 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -113.75 -34.79 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -177.29 165.88 36.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.04 124.32 34.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 43.1 mt -97.84 97.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.51 109.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 36' ' ' ILE . 25.9 mt -77.1 134.97 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.4 p-10 -156.11 147.3 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' ASP . 7.1 pt-20 -34.5 -39.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -57.09 -58.97 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.407 ' O ' HD13 ' A' ' 102' ' ' ILE . 59.0 m -54.01 153.44 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.6 t -162.41 163.23 27.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.53 137.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -132.25 145.82 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -83.09 136.56 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 73' ' ' LEU . 69.7 mt -102.1 153.99 37.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -169.8 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.07 110.06 21.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 9.5 ptpt -135.77 174.23 10.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' O ' ' CG ' ' A' ' 66' ' ' ASP . 28.5 t70 36.66 37.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.84 56.34 23.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.69 ' HG3' HD11 ' A' ' 71' ' ' LEU . 38.2 mmtm -118.92 -178.09 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -134.29 -44.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.7 m -132.45 96.41 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 68' ' ' LYS . 33.1 mt -112.0 147.98 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 7.7 p90 -148.33 131.21 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' ' 82' ' ' GLU . 5.2 tt -124.49 149.95 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 58' ' ' CYS . 89.3 t -105.0 128.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -103.43 115.78 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.518 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.9 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 76' ' ' CYS . 7.4 m-85 -28.49 -73.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.41 -27.71 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 34.8 mttt -83.5 149.47 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.7 p -128.14 157.27 41.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 64.7 m-85 -142.0 109.65 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HB2' HD12 ' A' ' 73' ' ' LEU . 37.2 tt0 -96.63 116.82 29.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.551 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.7 mt -124.22 152.63 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.2 t -124.6 132.5 53.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -94.0 177.85 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -92.06 -52.6 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -138.13 167.64 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -45.2 -42.06 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -51.62 -59.96 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 6.6 tmtt? -45.36 -60.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.6 tp60 -55.82 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 12.1 mm-40 -37.6 -56.28 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.447 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.4 m95 -52.0 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD11 ' CB ' ' A' ' 72' ' ' PHE . 18.4 mt -45.78 -53.17 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -54.9 -41.25 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.63 57.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.85 -55.32 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -47.88 -55.31 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.0 t -58.56 -42.67 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.454 ' CG2' HD13 ' A' ' 53' ' ' LEU . 34.4 m -51.94 -40.03 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 57' ' ' CYS . 56.5 mt -73.3 -40.47 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.435 ' CE1' HD21 ' A' ' 107' ' ' LEU . 9.0 t-80 -55.08 -39.8 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.01 -31.65 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.23 -32.94 67.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -60.67 -45.54 93.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.435 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.5 mm? -42.83 -50.18 5.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -37.5 -77.45 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 m -107.28 139.89 41.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m -99.9 166.03 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.86 145.73 4.48 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.62 48.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.0 p -90.56 141.28 28.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 p -81.63 -48.25 11.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.647 HG21 HG13 ' A' ' 30' ' ' VAL . 6.7 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.853 0.359 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 33' ' ' PRO . 32.8 mt -92.42 -49.07 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.619 ' HB2' HD23 ' A' ' 31' ' ' LEU . 11.5 tttp -128.52 155.09 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 pt20 -158.51 136.39 10.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.99 173.5 45.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -87.01 114.58 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.451 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 43.6 mtm -123.76 158.31 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 mtp -99.99 109.43 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 81' ' ' PHE . 21.8 tptt -91.36 142.61 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 30.9 tttp . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.3 m95 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.83 0.348 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 p -142.07 122.08 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -50.73 134.64 24.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 -154.21 142.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.508 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 60.7 t-105 -71.82 145.13 48.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 14.1 m-85 -129.91 140.7 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.647 HG13 HG21 ' A' ' 8' ' ' VAL . 61.8 t -125.0 91.54 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD23 ' HB2' ' A' ' 10' ' ' LYS . 4.4 tp -70.49 105.65 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.609 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.3 mptt -89.61 164.67 28.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.636 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.8 Cg_endo -69.7 -26.39 27.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -133.7 25.16 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.609 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.4 tt -179.12 176.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -148.28 104.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -99.6 164.61 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -145.27 116.07 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.2 m-85 -105.94 150.24 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.0 t -44.86 -44.13 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 62.5 p -135.02 -174.96 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 12.6 pt-20 -86.27 33.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.97 -29.54 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.87 43.38 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -110.85 -42.11 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.18 88.37 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 24.2 ttpt -66.89 145.69 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -106.44 -43.47 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.73 175.11 47.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.21 135.08 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.595 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 6.3 mt -102.91 95.89 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 35' ' ' ILE . 23.1 mt -55.95 101.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.542 HD11 HG13 ' A' ' 36' ' ' ILE . 38.4 mt -71.88 146.9 47.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HA ' HD13 ' A' ' 105' ' ' LEU . 1.6 p30 -174.18 151.61 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -34.69 -40.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.97 -49.92 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.552 ' O ' HD13 ' A' ' 102' ' ' ILE . 94.9 m -64.5 142.6 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.0 p -155.67 167.42 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.728 ' CG1' HG23 ' A' ' 95' ' ' ILE . 13.7 p -116.95 145.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -136.5 152.65 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.5 p -86.06 134.24 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 73' ' ' LEU . 42.2 mt -107.65 152.42 41.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -169.49 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.74 126.56 36.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LYS . 6.8 ptpp? -144.18 167.41 22.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t0 35.53 37.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.1 45.29 96.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.712 ' HB2' HD11 ' A' ' 71' ' ' LEU . 32.5 mmtm -117.29 160.21 21.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -134.8 147.24 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.31 53.53 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 68' ' ' LYS . 3.8 mt -89.69 150.19 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 32.6 p90 -151.86 156.44 40.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.571 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.2 tt -144.58 152.94 41.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.17 130.54 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -109.16 117.5 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.13 176.46 5.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 76' ' ' CYS . 8.6 m-85 -31.61 -69.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.64 -27.06 3.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.46 155.34 22.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.415 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 p -135.44 157.46 46.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.595 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.2 m-85 -145.42 111.75 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.82 117.15 34.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 16.1 mt -123.5 152.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 83' ' ' ILE . 43.2 t -120.16 135.3 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.35 163.57 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 t -85.29 -56.78 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -126.27 178.36 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -62.53 -36.04 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.05 -60.37 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' LYS . 5.7 mptt -58.17 -61.08 2.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HD3' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -38.0 -60.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 94' ' ' TRP . 25.5 tt0 -64.9 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -37.92 -32.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.507 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 33.9 m95 -79.15 -66.7 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.728 HG23 ' CG1' ' A' ' 59' ' ' VAL . 52.6 mt -44.61 -42.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.69 -50.4 73.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.72 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -57.72 -48.82 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -58.04 -48.67 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 p -63.16 -43.79 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.1 m -51.21 -39.31 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 57' ' ' CYS . 30.5 mt -72.01 -48.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.2 t60 -42.94 -44.61 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.0 -36.98 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 54' ' ' ASP . 23.3 mt -71.03 -29.33 65.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.477 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 66.9 mttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG13 HG13 ' A' ' 30' ' ' VAL . 88.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.55 -60.99 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.7 tttp -126.49 156.08 41.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -158.44 124.82 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.06 176.2 42.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 18.5 m-85 -91.74 103.77 16.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.478 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 67.7 mtm -114.78 158.61 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.9 mtp -100.67 116.24 32.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -106.24 142.92 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 17.4 ttpp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.421 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 93.3 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.5 p -152.12 139.52 19.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 4.6 tp10 -68.3 146.52 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.4 mtt-85 -166.33 142.68 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 53.2 t-105 -72.71 136.08 45.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.58 149.72 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.683 HG13 HG13 ' A' ' 8' ' ' VAL . 46.7 t -134.54 97.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 HG12 ' A' ' 36' ' ' ILE . 23.2 tp -73.53 94.95 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.616 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.4 mptt -77.47 164.82 55.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -28.8 24.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 34' ' ' ASN . 51.8 t-20 -131.95 25.31 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.616 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.0 tt -178.5 177.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.463 HG12 HD12 ' A' ' 31' ' ' LEU . 37.7 mt -148.09 104.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -101.46 169.94 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 30.6 p90 -152.16 117.41 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CG ' ' HA ' ' A' ' 44' ' ' LEU . 47.5 m-85 -102.49 135.29 44.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 m -48.27 -19.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 m -138.64 174.83 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.7 pt-20 -93.05 27.99 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -104.12 -21.67 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 15.7 mt 69.31 36.72 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -111.41 -47.46 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.14 97.72 8.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -92.76 144.6 25.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 7.0 mmtp -99.94 -39.7 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.22 -164.2 28.16 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.49 139.04 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.794 HD11 ' CD2' ' A' ' 81' ' ' PHE . 25.9 mt -104.4 98.73 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.509 HD23 HD11 ' A' ' 35' ' ' ILE . 42.4 mt -57.06 105.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 12.9 mt -71.98 134.11 45.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -157.49 150.84 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -38.1 -35.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.634 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 30.1 m-80 -63.09 -57.04 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' HD13 ' A' ' 102' ' ' ILE . 88.6 m -54.08 147.51 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.434 ' O ' HG13 ' A' ' 74' ' ' VAL . 28.2 p -157.56 167.37 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.79 138.57 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.576 ' OE2' HD21 ' A' ' 62' ' ' LEU . 10.1 pt-20 -133.85 137.82 45.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.9 p -82.68 127.82 33.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD21 ' OE2' ' A' ' 60' ' ' GLU . 41.7 mt -108.6 143.26 27.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.75 125.05 29.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -54.76 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 13.6 t70 -121.7 59.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.68 37.25 94.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' LEU . 24.2 mmtt -110.6 169.99 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -142.36 141.33 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m 58.09 48.84 12.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 68' ' ' LYS . 9.4 mt -81.19 149.05 29.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 27.2 p90 -152.12 130.08 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 73' ' ' LEU . 6.6 tt -119.94 144.99 47.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 58' ' ' CYS . 99.6 t -104.5 128.57 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -106.45 122.65 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.11 176.37 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.634 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 8.4 m-85 -32.79 -70.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.76 -25.67 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -86.83 160.07 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.79 149.35 36.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.794 ' CD2' HD11 ' A' ' 51' ' ' ILE . 11.5 m-85 -136.47 117.35 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.82 119.89 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.1 mt -123.91 159.92 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.525 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.6 p -130.39 126.75 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -85.69 172.84 10.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -99.73 -54.0 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.66 156.9 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -45.69 -39.79 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.92 -58.55 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -53.49 -61.13 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -43.12 -66.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 30.6 tt0 -51.04 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 6.0 mm-40 -37.85 -46.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.521 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.5 m95 -64.65 -64.33 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 72' ' ' PHE . 3.5 mt -46.1 -54.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -54.14 -51.31 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.11 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.22 -54.57 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.18 -58.83 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.3 t -52.79 -51.53 60.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.6 m -46.46 -39.75 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.456 HG22 ' HE3' ' A' ' 106' ' ' LYS . 64.1 mt -74.96 -44.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.7 t60 -49.91 -40.28 42.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.8 mt -59.27 -30.33 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.3 mt -84.18 -22.12 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HE3' HG22 ' A' ' 102' ' ' ILE . 84.3 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.66 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.1 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.876 0.369 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 33' ' ' PRO . 8.6 mt -86.46 -55.03 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE2' ' CD1' ' A' ' 94' ' ' TRP . 28.5 tttp -118.24 156.53 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -158.56 136.15 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.446 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 178.88 163.67 30.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -77.33 106.46 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.538 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 56.8 mtm -118.92 150.95 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.7 mtp -104.2 124.36 48.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HZ2' ' HZ ' ' A' ' 29' ' ' PHE . 3.9 ttpm? -111.98 139.29 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 20.4 ttpp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 91.3 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.1 p -129.13 134.79 48.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.05 101.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.687 ' NH1' HG22 ' A' ' 40' ' ' VAL . 9.5 tpt180 -117.76 135.99 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 48.5 t-105 -68.48 126.5 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' HZ ' ' HZ2' ' A' ' 16' ' ' LYS . 19.8 m-85 -111.87 147.2 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 ' CG2' ' A' ' 8' ' ' VAL . 61.3 t -129.66 95.46 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 HG12 ' A' ' 36' ' ' ILE . 55.2 tp -71.53 96.29 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.646 ' CB ' HG22 ' A' ' 35' ' ' ILE . 39.9 mmtt -78.28 162.94 64.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.76 -25.91 28.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -135.04 26.38 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 52' ' ' LEU . 2.3 tt -179.69 -179.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.557 HG13 HD11 ' A' ' 53' ' ' LEU . 49.4 mt -148.42 105.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.5 m -116.94 149.42 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.806 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -126.21 137.3 53.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 47' ' ' LYS . 86.9 m-85 -111.61 148.55 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.687 HG22 ' NH1' ' A' ' 27' ' ' ARG . 92.6 t -42.31 -38.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -143.72 -175.24 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.19 32.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.61 -29.26 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 39' ' ' TYR . 18.6 mt 68.77 44.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -114.38 107.09 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ttmp? -97.47 155.46 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 24.8 mmtt -105.15 -35.14 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.11 -171.98 44.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.5 145.31 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.567 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 77.9 mt -112.79 88.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 35' ' ' ILE . 27.5 mt -51.17 109.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 HG13 ' A' ' 36' ' ' ILE . 37.8 mt -77.36 146.29 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 55' ' ' GLU . 28.5 m-20 -164.94 149.28 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 7.9 pt-20 -33.81 -37.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 m-80 -61.85 -55.21 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.522 ' O ' HD13 ' A' ' 102' ' ' ILE . 90.3 m -54.84 145.39 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.5 t -159.36 164.68 34.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.407 HG13 HG23 ' A' ' 95' ' ' ILE . 7.6 p -117.7 143.79 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -135.47 159.76 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -96.13 126.2 41.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 73' ' ' LEU . 43.9 mt -97.28 146.22 30.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.653 0.739 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.6 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.5 119.87 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -146.5 164.58 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LYS . 14.7 t0 35.8 42.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.75 46.79 66.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.669 ' CB ' HD11 ' A' ' 71' ' ' LEU . 16.6 mmtm -122.99 179.54 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -150.49 167.9 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 69' ' ' LYS . 59.4 m 34.96 50.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.669 HD11 ' CB ' ' A' ' 68' ' ' LYS . 4.2 mt -85.56 152.03 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 30.0 p90 -152.11 130.01 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.898 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.5 tt -118.66 144.35 46.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 58' ' ' CYS . 79.4 t -106.35 128.56 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 7.0 mtpm? -105.23 127.13 52.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -118.42 176.43 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.3 m-85 -32.07 -72.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.84 -27.84 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.0 155.24 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.3 p -136.58 152.75 50.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 47.1 m-85 -141.54 125.42 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.84 109.91 20.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.567 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.2 mt -113.0 154.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.1 t -119.15 130.22 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.14 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.6 t -75.96 -58.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -124.85 155.29 39.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -42.95 -36.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -59.78 -53.23 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -56.62 -60.84 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -36.52 -59.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' TRP . 6.1 tp60 -62.09 -72.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' GLN . 7.3 mm-40 -37.37 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.538 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 36.7 m95 -80.53 -57.18 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 72' ' ' PHE . 22.1 mt -57.06 -49.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -59.03 -46.37 88.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.43 -52.7 64.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.9 mt -59.89 -49.74 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -47.75 -55.34 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.3 t -61.4 -51.02 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -44.39 -38.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 57' ' ' CYS . 71.2 mt -74.04 -47.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.5 t60 -47.85 -40.12 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -57.63 -31.25 66.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.05 -29.53 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 99.4 mttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.493 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.6 p . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.87 0.367 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.0 mt -86.69 -47.03 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.5 tttm -127.89 154.03 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -158.08 130.29 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -176.77 166.78 37.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.462 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 11.1 m-85 -81.09 115.92 20.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.454 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 68.1 mtm -127.38 150.83 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 mtp -92.14 111.92 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.27 135.21 44.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.3 tttm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.2 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.859 0.361 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.8 p -134.02 132.66 40.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 46.4 tt0 -69.62 96.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.43 ' NH1' ' HD2' ' A' ' 48' ' ' LYS . 8.0 tpp180 -113.77 137.62 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.7 t-105 -68.07 139.89 56.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 15.8 m-85 -129.04 125.22 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' CG2' ' A' ' 8' ' ' VAL . 93.7 t -109.13 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 36' ' ' ILE . 52.4 tp -70.31 119.07 13.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.636 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.6 mmtt -103.0 162.78 19.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.2 Cg_endo -69.79 -25.77 28.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -133.94 25.59 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.636 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.59 178.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.675 HG13 HD11 ' A' ' 53' ' ' LEU . 37.1 mt -148.18 105.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.6 167.79 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.591 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 13.3 p90 -150.4 116.26 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.76 168.5 9.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.34 -55.73 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 p -123.29 -175.2 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 16.4 pt-20 -84.69 30.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.428 ' CG ' ' HG3' ' A' ' 45' ' ' LYS . 19.7 t0 -105.11 -27.53 11.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 30' ' ' VAL . 17.5 mt 66.46 39.91 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG3' ' CG ' ' A' ' 43' ' ' ASP . 17.9 mtpp -100.85 -39.81 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -117.55 113.08 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -86.48 144.99 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD2' ' NH1' ' A' ' 27' ' ' ARG . 8.6 mmpt? -102.89 -42.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.54 -153.77 9.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -159.7 146.95 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 37.4 mt -117.05 93.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 35' ' ' ILE . 25.2 mt -54.46 113.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.675 HD11 HG13 ' A' ' 36' ' ' ILE . 36.2 mt -81.68 141.67 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 55' ' ' GLU . 8.0 m-20 -161.88 150.2 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.493 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 11.5 pt-20 -33.02 -42.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 5.5 m-80 -58.93 -55.63 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.495 ' O ' HD13 ' A' ' 102' ' ' ILE . 99.0 m -51.89 140.92 18.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.457 ' O ' HG13 ' A' ' 74' ' ' VAL . 29.9 p -156.18 168.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.659 ' CG1' HG23 ' A' ' 95' ' ' ILE . 8.8 p -123.57 140.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.54 161.36 26.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 p -100.81 103.45 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -76.57 147.45 78.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -87.12 121.93 30.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -146.7 160.36 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.19 42.46 6.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.72 35.48 91.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HG3' HD11 ' A' ' 71' ' ' LEU . 64.8 mmtt -103.82 172.71 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.65 -38.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.0 m -131.92 96.27 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD11 ' HG3' ' A' ' 68' ' ' LYS . 26.3 mt -114.04 164.01 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.7 p90 -168.41 130.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 73' ' ' LEU . 4.8 tt -119.91 152.79 36.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 58' ' ' CYS . 86.8 t -111.95 128.63 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -106.0 115.38 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -109.6 176.66 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 56' ' ' ASN . 8.7 m-85 -30.66 -71.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.68 -27.73 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -82.42 162.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.462 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 18.7 p -141.5 158.38 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 49.5 m-85 -150.67 113.99 4.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 73' ' ' LEU . 19.9 tt0 -102.32 126.83 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 10.3 mt -132.31 150.88 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.413 ' CB ' HD23 ' A' ' 71' ' ' LEU . 31.2 t -115.22 150.2 36.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.61 158.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.2 t -86.09 -62.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -113.99 145.15 41.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -41.21 -41.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -50.13 -56.13 12.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -58.03 -50.47 73.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -49.66 -52.4 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -50.74 -60.63 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 33.8 m95 -48.63 -60.62 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.659 HG23 ' CG1' ' A' ' 59' ' ' VAL . 4.9 mt -49.44 -48.61 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -57.7 -43.46 85.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.66 -50.96 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.497 HG23 HD11 ' A' ' 36' ' ' ILE . 21.1 mt -58.93 -56.48 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -45.09 -51.27 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -59.09 -46.93 87.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 33' ' ' PRO . 58.8 m -48.44 -44.43 35.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 57' ' ' CYS . 23.4 mt -68.85 -37.89 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.512 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 10.0 t60 -49.28 -45.38 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.14 -32.1 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 53' ' ' LEU . 47.0 mt -72.94 -33.76 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.512 ' CD ' ' HA ' ' A' ' 103' ' ' HIS . 3.2 mtpm? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.559 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.4 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.23 -48.98 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -127.6 153.45 46.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -158.6 133.21 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.75 159.98 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD1' ' OE2' ' A' ' 26' ' ' GLU . 5.8 m-85 -71.05 120.89 17.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.2 mtm -127.61 147.37 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.4 mtp -92.35 111.14 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -102.48 133.5 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.863 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.1 m95 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.5 p -142.4 131.82 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.489 ' OE2' ' CD1' ' A' ' 13' ' ' TYR . 31.6 tt0 -64.63 129.76 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -145.81 141.34 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.2 t-105 -75.25 137.22 41.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 14.9 m-85 -124.28 143.89 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 8' ' ' VAL . 93.2 t -125.63 98.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 36' ' ' ILE . 61.3 tp -74.84 103.5 5.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.645 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.7 mmtt -86.59 162.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.6 Cg_endo -69.68 -26.02 28.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -134.97 26.8 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.645 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.99 179.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.574 HG12 HD12 ' A' ' 31' ' ' LEU . 36.3 mt -148.78 105.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 m -115.81 141.65 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.585 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 1.6 p90 -123.32 130.27 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 45.2 m-85 -100.82 144.63 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' CE ' ' A' ' 48' ' ' LYS . 7.9 p -52.82 -25.23 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 p -135.69 170.59 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.8 pt-20 -85.78 28.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -106.45 -26.84 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.0 mt 74.09 38.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -107.88 -42.71 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.26 81.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 8.0 ttpm? -60.12 133.74 56.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CE ' ' HB ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -81.39 -39.8 24.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.446 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . 177.82 -178.93 48.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.8 m-20 -132.13 153.14 50.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.585 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 55.7 mt -127.86 96.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 35' ' ' ILE . 33.6 mt -56.41 105.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 101' ' ' THR . 31.6 mt -69.28 139.61 54.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 64.5 m-20 -161.54 143.93 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -34.59 -38.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -59.63 -54.17 49.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.489 ' O ' HD13 ' A' ' 102' ' ' ILE . 85.3 m -61.16 145.58 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 74' ' ' VAL . 3.8 m -159.72 160.99 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.547 HG13 HG23 ' A' ' 95' ' ' ILE . 7.2 p -108.4 148.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -137.9 174.63 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.0 t -112.54 128.21 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 73' ' ' LEU . 94.1 mt -100.98 147.98 34.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' 71' ' ' LEU . 53.2 Cg_endo -69.84 -165.36 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.42 105.76 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 11.6 ttmm -112.38 143.21 43.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 39.97 34.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 71.26 1.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HG3' HD11 ' A' ' 71' ' ' LEU . 20.7 mmtm -125.72 177.93 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.79 -41.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 91.5 m -130.87 96.06 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 63' ' ' PRO . 26.2 mt -114.8 162.56 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 18.4 p90 -171.25 132.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 74' ' ' VAL . 5.4 tt -124.15 155.37 38.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.58 ' N ' HD23 ' A' ' 73' ' ' LEU . 86.8 t -117.01 128.45 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.23 135.52 39.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -130.62 176.6 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.6 m-85 -30.1 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -124.35 -23.71 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -87.31 154.37 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.7 p -134.14 139.91 46.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 41.5 m-85 -122.93 117.14 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -103.91 124.9 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.6 mt -132.7 154.58 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 83' ' ' ILE . 47.6 t -128.32 132.1 48.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.07 162.83 13.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -94.36 -55.19 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.52 152.75 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.53 -44.66 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -51.07 -49.46 60.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -63.18 -54.99 28.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.08 -64.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 31.2 tt0 -57.53 -65.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 20.1 mm-40 -37.29 -45.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -63.75 -59.24 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.547 HG23 HG13 ' A' ' 59' ' ' VAL . 14.9 mt -50.81 -45.99 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.48 -49.68 72.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.53 75.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.31 -51.98 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -43.96 -59.82 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.7 m -56.16 -46.0 79.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 53' ' ' LEU . 87.6 m -46.6 -42.97 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 57' ' ' CYS . 33.6 mt -71.54 -40.42 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -48.6 -42.8 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.6 mt -55.77 -35.48 66.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.36 -37.32 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 34.2 mttp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.566 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.875 0.369 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.52 -45.36 12.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.2 tttp -129.16 155.52 45.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.6 pt20 -157.44 132.1 8.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.27 168.39 41.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 5.2 m-85 -86.04 110.13 19.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.519 ' HE3' HG21 ' A' ' 83' ' ' ILE . 69.7 mtm -121.55 157.99 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.2 mtp -104.91 111.85 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -97.24 129.25 44.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.544 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 23.4 tttp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.1 m95 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.0 p -138.9 128.25 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 13' ' ' TYR . 27.0 tt0 -72.09 105.96 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -122.83 132.26 54.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 54.6 t-105 -61.57 134.4 56.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 16.1 m-85 -119.04 134.31 55.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.566 HG13 ' CG2' ' A' ' 8' ' ' VAL . 87.1 t -118.22 95.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.67 106.67 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.1 mmtp -90.51 163.5 30.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.565 0.698 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.73 -26.38 27.8 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.746 2.298 . . . . 0.0 112.357 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -135.03 27.2 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.632 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.76 179.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 98' ' ' ILE . 50.2 mt -149.32 104.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 m -114.58 137.7 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 19.4 p90 -120.76 124.33 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.8 m-85 -100.07 161.36 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.73 -43.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -138.27 -175.27 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.71 35.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -103.05 -31.2 10.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.77 45.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -119.31 -42.68 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.77 92.14 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 21.0 ttmt -70.0 155.34 40.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -113.25 -37.0 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.77 -175.47 45.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.41 139.44 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.811 HD11 ' CD2' ' A' ' 81' ' ' PHE . 64.9 mt -113.08 89.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.88 111.25 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 35' ' ' ILE . 58.3 mt -75.75 128.69 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 5.8 m-20 -144.14 143.49 31.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ASP . 13.8 pt-20 -34.58 -36.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.4 m-80 -61.95 -54.96 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.0 m -51.79 152.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.55 ' O ' HG13 ' A' ' 74' ' ' VAL . 30.8 p -161.89 165.21 27.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.557 HG13 HG23 ' A' ' 95' ' ' ILE . 7.4 p -121.3 144.99 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -132.45 165.61 23.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.4 t -107.16 117.54 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 73' ' ' LEU . 61.0 mt -101.64 141.31 22.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.87 123.72 32.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.664 ' HE3' HD13 ' A' ' 71' ' ' LEU . 10.4 ptpt -120.62 -52.52 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 65' ' ' LYS . 7.8 m-20 -106.34 73.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.69 48.04 1.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -125.55 -179.05 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.15 144.18 25.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m 61.16 54.79 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.664 HD13 ' HE3' ' A' ' 65' ' ' LYS . 5.9 mt -88.65 143.98 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 28.7 p90 -150.21 130.98 14.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 62' ' ' LEU . 4.7 tt -119.68 152.73 36.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 58' ' ' CYS . 98.4 t -111.86 128.4 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -105.43 122.7 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -116.79 176.53 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.4 m-85 -29.84 -70.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.17 -27.67 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -85.97 159.0 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 p -138.9 153.91 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.811 ' CD2' HD11 ' A' ' 51' ' ' ILE . 29.1 m-85 -140.5 114.96 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -101.42 122.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.7 mt -129.41 141.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -108.69 128.96 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -85.39 159.0 20.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.5 p -84.07 -49.87 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -133.85 166.33 22.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -41.95 63.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -51.15 -59.93 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.9 mptm? -59.39 -61.4 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.472 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 4.1 tmtt? -34.93 -55.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' TRP . 4.2 tp60 -69.32 -65.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -40.58 -26.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.452 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 32.6 m95 -80.42 -58.28 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.557 HG23 HG13 ' A' ' 59' ' ' VAL . 45.5 mt -55.08 -43.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -62.88 -39.92 95.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.12 -50.91 51.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.484 HG23 HD11 ' A' ' 36' ' ' ILE . 28.2 mt -60.21 -54.79 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.87 -54.67 11.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.5 m -57.92 -45.92 85.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 33' ' ' PRO . 72.3 m -50.21 -41.7 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.7 mt -71.77 -44.31 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -47.44 -40.07 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.25 -30.81 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 53' ' ' LEU . 58.4 mt -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.4 mttt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.839 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 33' ' ' PRO . 12.4 mt -79.17 -54.09 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.3 tttp -129.25 157.88 40.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.1 pt20 -158.31 124.87 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.94 159.3 32.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -81.83 108.24 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.933 0.396 . . . . 0.0 110.958 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.486 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 40.7 mtm -118.68 157.85 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.453 ' HE2' ' N ' ' A' ' 25' ' ' THR . 15.6 mtp -103.38 112.9 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 30.7 tttm -95.01 146.45 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.418 ' N ' ' HG2' ' A' ' 16' ' ' LYS . 26.8 tttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.414 ' CZ2' ' HE3' ' A' ' 17' ' ' LYS . 94.4 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.87 0.367 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' HE2' ' A' ' 15' ' ' MET . 41.0 p -150.69 135.77 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.12 128.5 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -146.26 129.54 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 55.2 t-105 -64.77 115.18 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -98.32 137.66 36.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -120.37 100.57 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' A' ' 9' ' ' LEU . 17.3 tp -76.59 94.92 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.642 ' CB ' HG22 ' A' ' 35' ' ' ILE . 17.2 mmtp -77.08 162.98 67.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.727 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.784 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 -26.02 28.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -134.94 26.92 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 53' ' ' LEU . 2.5 tt 179.87 179.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.463 HG13 HD11 ' A' ' 53' ' ' LEU . 40.2 mt -148.84 105.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.8 m -118.25 146.73 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -118.64 129.6 55.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -106.02 153.12 22.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t -42.48 -57.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 m -126.21 -174.76 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 10.7 pt-20 -83.49 35.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -104.94 -31.58 9.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.9 mt 69.39 39.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -106.53 -41.43 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -116.45 112.5 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -82.46 154.88 24.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -112.97 -41.63 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.88 -166.94 25.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -155.31 139.18 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 81' ' ' PHE . 53.8 mt -116.97 96.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 35' ' ' ILE . 26.7 mt -54.74 113.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 35' ' ' ILE . 51.0 mt -78.42 140.75 38.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' GLU . 66.0 m-20 -161.32 148.43 14.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 3.8 pt-20 -37.38 -33.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.4 m-80 -63.62 -57.63 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.415 ' O ' HD13 ' A' ' 102' ' ' ILE . 96.9 m -50.03 143.04 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.522 ' O ' HG13 ' A' ' 74' ' ' VAL . 12.1 p -155.23 173.38 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG21 HG12 ' A' ' 95' ' ' ILE . 8.2 p -121.56 150.75 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -141.86 142.6 33.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.2 p -81.34 120.64 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 73' ' ' LEU . 36.3 mt -98.52 149.36 35.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 179.92 3.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.69 123.91 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -142.25 151.87 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t0 57.18 45.48 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.03 57.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -121.25 -177.19 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -164.01 149.26 10.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 m 55.46 51.6 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 65' ' ' LYS . 3.9 mt -88.39 156.71 19.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -164.31 136.62 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.685 HD12 ' HB2' ' A' ' 82' ' ' GLU . 8.0 tt -123.38 151.5 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 58' ' ' CYS . 87.5 t -112.2 128.62 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -105.4 123.88 48.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.478 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.27 176.64 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.35 -71.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -125.36 -27.14 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -85.65 157.49 20.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 38.1 p -135.01 155.68 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.698 ' CD2' HD11 ' A' ' 51' ' ' ILE . 31.3 m-85 -146.94 108.61 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' HD12 ' A' ' 73' ' ' LEU . 70.3 tt0 -99.82 129.7 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.554 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.5 mt -131.2 157.65 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.49 ' N ' HG22 ' A' ' 83' ' ' ILE . 10.6 p -130.19 119.97 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -78.43 -179.0 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -112.73 -47.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.35 147.61 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -43.9 -40.73 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -53.77 -59.71 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -56.35 -61.68 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 5.0 tmtt? -37.89 -62.24 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -62.37 -65.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' HE2' ' A' ' 10' ' ' LYS . 6.7 mm-40 -37.8 -33.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 32.4 m95 -77.68 -58.28 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.476 HD11 ' CB ' ' A' ' 72' ' ' PHE . 21.8 mt -52.12 -47.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -58.14 -52.89 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.32 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.0 mt -50.52 -47.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -55.4 -46.73 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 m -65.63 -46.1 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.3 m -50.79 -45.14 59.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 57' ' ' CYS . 60.7 mt -66.17 -43.94 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -49.01 -40.26 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.9 mt -58.45 -31.73 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.09 -27.89 48.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 72.9 mttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.846 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.651 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.5 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 33' ' ' PRO . 7.4 mt -78.57 -53.63 7.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -127.36 156.45 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.7 132.11 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.66 179.66 40.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.458 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 10.7 m-85 -104.01 105.39 15.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.673 ' HE1' ' CB ' ' A' ' 29' ' ' PHE . 3.2 mpp? -115.23 168.32 10.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.2 mtp -107.53 110.94 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -98.02 129.96 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 19.3 tttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 96.9 m95 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.776 0.322 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -129.68 137.23 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 36.7 tt0 -74.0 99.63 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -112.81 145.49 40.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 46.7 t-105 -77.17 127.89 33.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.673 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 16.3 m-85 -113.13 147.3 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.651 HG13 ' CG2' ' A' ' 8' ' ' VAL . 98.7 t -130.94 99.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' HG ' HD12 ' A' ' 9' ' ' LEU . 11.3 tp -75.75 90.45 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HG22 ' A' ' 35' ' ' ILE . 42.7 mmtt -72.24 163.03 70.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.8 Cg_endo -69.74 -25.77 28.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.94 26.47 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.632 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.98 178.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.578 HG13 HD11 ' A' ' 53' ' ' LEU . 56.3 mt -149.1 104.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -116.48 158.95 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 8.7 p90 -131.74 129.51 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 88.4 m-85 -104.78 158.33 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.457 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 85.2 t -54.49 -45.42 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.4 p -126.87 179.51 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.551 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 17.3 pt-20 -84.05 34.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -107.39 -31.29 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 30' ' ' VAL . 16.1 mt 72.39 42.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -109.04 -42.11 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -115.04 98.32 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 25.2 ttpp -77.25 153.24 34.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.4 mmmt -108.64 -42.0 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' HZ2' ' A' ' 47' ' ' LYS . . . -166.05 171.79 41.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -132.79 138.14 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.538 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 20.6 mt -111.46 93.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.439 HD23 HD11 ' A' ' 35' ' ' ILE . 38.7 mt -50.26 108.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 36' ' ' ILE . 14.3 mt -77.81 135.27 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 55' ' ' GLU . 41.3 t0 -169.42 157.22 7.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 13.7 pt-20 -33.39 -52.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.604 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -48.63 -53.4 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.598 ' O ' HD13 ' A' ' 102' ' ' ILE . 35.8 m -62.09 131.96 51.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.445 ' HA ' HD13 ' A' ' 102' ' ' ILE . 32.1 p -151.7 153.34 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.61 146.08 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.82 135.4 29.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 m -68.99 143.01 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 73' ' ' LEU . 65.7 mt -117.4 156.06 49.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.72 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 119.21 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -140.12 150.19 43.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 22.7 t70 60.94 42.75 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.36 52.8 42.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -127.35 173.5 9.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -149.94 153.79 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.3 m 52.84 54.6 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.511 HD13 ' HD2' ' A' ' 65' ' ' LYS . 3.1 mt -90.32 151.86 21.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.5 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 29.4 p90 -156.83 142.68 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.636 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.9 tt -131.05 155.09 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.74 130.75 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -108.76 124.0 49.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 77' ' ' PHE . 14.4 m -119.34 176.69 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.604 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 5.6 m-85 -30.21 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -122.52 -29.78 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -82.29 155.29 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 p -140.12 148.32 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 15.7 m-85 -135.9 124.49 23.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -108.52 124.97 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.5 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.5 mt -130.9 148.37 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -117.54 133.36 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.43 175.1 6.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.1 t -100.79 -56.97 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.72 155.44 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -44.73 -38.0 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -52.94 -60.25 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -59.9 -54.67 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -45.98 -61.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -57.73 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.0 mm-40 -37.9 -52.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -57.74 -62.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.4 mt -46.85 -55.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.35 -39.47 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.16 -57.62 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.24 -54.37 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.15 -56.3 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -55.24 -48.24 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.1 m -50.35 -40.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 57' ' ' CYS . 45.0 mt -69.98 -50.2 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.473 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.5 t60 -42.17 -49.34 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.1 mt -49.16 -37.46 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 54' ' ' ASP . 16.1 mt -73.34 -33.6 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 68.5 mttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.605 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.7 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.833 0.349 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.31 -48.98 9.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 33.3 tttm -125.44 155.78 39.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -158.44 134.21 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 178.86 154.26 12.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD1' ' CD ' ' A' ' 26' ' ' GLU . 12.8 m-85 -69.12 101.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.596 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 60.9 mtm -110.53 146.28 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.1 mtp -93.03 111.84 23.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' LYS . 12.8 tttm -99.34 120.15 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 8.3 tptp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 70.1 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.856 0.36 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -153.83 133.9 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.34 144.75 55.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -162.95 137.84 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.52 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 34.7 t-105 -66.13 122.84 18.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -114.16 120.17 39.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.605 HG13 ' CG2' ' A' ' 8' ' ' VAL . 94.7 t -104.68 102.11 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 HD12 HG12 ' A' ' 36' ' ' ILE . 18.2 tp -81.15 99.89 8.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.595 ' CB ' HG22 ' A' ' 35' ' ' ILE . 31.8 mmtt -81.51 163.22 55.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.2 Cg_endo -69.71 -23.88 30.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.379 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -134.74 23.41 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.595 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -178.93 178.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.456 HG12 HD12 ' A' ' 31' ' ' LEU . 84.8 mt -148.51 104.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.6 m -114.64 141.55 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -120.53 125.55 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 64.1 m-85 -103.43 122.37 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -32.95 -34.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 61.8 p -118.52 171.91 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.9 pt-20 -96.58 30.65 2.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -113.87 -7.34 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt 63.0 34.61 13.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -99.75 -45.23 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 3.4 m-20 -107.88 119.27 38.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -102.84 146.67 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 2.8 mmmp? -104.23 -45.04 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . -174.67 -177.61 43.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 2.5 m-20 -136.95 130.03 30.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 26.1 mt -96.62 95.68 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -56.73 104.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 35' ' ' ILE . 71.4 mt -71.11 139.01 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' GLU . 36.4 t70 -158.0 150.02 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.0 pt-20 -33.65 -45.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -55.22 -55.22 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 58.5 m -52.04 140.9 19.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.03 169.65 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.539 ' CG1' HG23 ' A' ' 95' ' ' ILE . 11.3 p -119.58 140.5 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -132.96 134.81 45.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.8 m -78.42 135.34 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' CB ' ' A' ' 73' ' ' LEU . 62.0 mt -109.75 149.52 40.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -172.03 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.242 . . . . 0.0 112.325 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -85.09 121.39 27.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -138.12 147.6 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 52.32 37.79 23.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.52 44.35 90.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.661 ' CB ' HD11 ' A' ' 71' ' ' LEU . 43.7 mmtt -114.55 172.47 7.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -156.91 145.16 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m 57.66 45.38 19.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.661 HD11 ' CB ' ' A' ' 68' ' ' LYS . 16.8 mt -85.73 160.54 19.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.513 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 36.1 p90 -162.05 133.65 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.541 ' CB ' HD11 ' A' ' 62' ' ' LEU . 5.0 tt -122.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -105.06 128.46 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -108.97 132.77 53.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.55 176.65 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.69 -71.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -123.9 -28.98 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.447 ' HE3' ' N ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.78 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 14.6 p -134.17 152.84 52.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 39.5 m-85 -144.44 122.29 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -106.99 122.06 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 15.3 mt -126.48 147.99 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 47.7 t -115.4 129.01 56.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.26 155.06 21.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.422 ' OD2' ' CB ' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -128.49 153.33 47.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -43.05 -39.99 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.422 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 51.5 tttm -54.53 -59.0 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -58.86 -52.29 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.52 -55.89 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.7 tp-100 -64.57 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' GLN . 16.5 mt-10 -36.99 -45.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 39.1 m95 -62.14 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.539 HG23 ' CG1' ' A' ' 59' ' ' VAL . 18.5 mt -48.52 -51.88 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -55.42 -45.66 76.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.7 -55.76 29.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.41 HG12 HD13 ' A' ' 31' ' ' LEU . 22.2 mt -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -50.01 -52.25 35.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 t -59.91 -50.3 74.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 33' ' ' PRO . 33.6 m -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.8 mt -75.77 -46.96 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.9 t60 -46.11 -42.73 14.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.89 -33.23 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.5 mt -76.01 -34.84 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.6 mttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.633 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.1 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.876 0.369 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.03 -50.14 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.523 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.0 tttp -121.35 156.74 31.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -158.61 131.51 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.528 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 177.84 161.54 26.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.46 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 3.9 m-85 -76.78 121.09 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.8 mtm -129.89 148.98 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.3 mtp -94.86 121.36 36.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -108.66 133.48 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 tttm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.857 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 77.6 m95 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.822 0.344 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 p -142.04 137.59 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 19.5 tt0 -66.73 118.23 9.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -139.32 130.56 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 29.8 t-105 -59.22 140.04 56.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.3 m-85 -128.29 133.84 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.633 HG13 ' CG2' ' A' ' 8' ' ' VAL . 92.0 t -116.09 92.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 31' ' ' LEU . 16.2 tp -71.07 92.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.654 ' CB ' HG22 ' A' ' 35' ' ' ILE . 21.2 mmtt -76.96 162.9 68.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.538 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.77 -26.37 27.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -135.01 27.26 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.654 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.5 tt -179.97 179.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.66 HG13 HD11 ' A' ' 53' ' ' LEU . 48.9 mt -149.07 105.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.6 p -114.51 140.83 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.424 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 7.2 p90 -121.87 129.8 52.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' SER . 49.9 m-85 -106.73 126.58 52.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -36.23 -29.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 21.8 p -129.08 167.22 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.508 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 22.5 pt-20 -88.68 33.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.86 -19.54 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.5 mt 66.2 40.21 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -122.64 -38.64 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 7.3 t0 -104.09 102.42 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -93.32 145.24 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -104.82 -42.35 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.84 -169.81 29.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -147.95 141.02 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.572 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 28.0 mt -114.01 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 35' ' ' ILE . 24.3 mt -53.43 108.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.66 HD11 HG13 ' A' ' 36' ' ' ILE . 36.7 mt -77.91 131.17 37.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 11.9 m-20 -156.11 154.57 31.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.2 pt-20 -33.83 -46.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -52.27 -53.95 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.7 m -57.74 149.08 22.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.1 p -162.13 163.83 28.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 p -111.6 143.98 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -128.37 167.48 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -106.26 106.64 17.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 73' ' ' LEU . 63.3 mt -75.89 154.67 84.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.613 0.721 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.16 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.65 103.34 15.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 154.09 44.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD2' ' NE1' ' A' ' 24' ' ' TRP . 26.9 t0 67.51 40.72 2.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.19 68.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -124.58 171.78 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -134.03 -45.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.9 87.89 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.8 mt -109.52 152.04 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 95' ' ' ILE . 43.1 p90 -159.35 133.75 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -122.34 148.72 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -108.38 128.17 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 21.2 mtpt -104.12 126.28 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -120.29 176.65 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.9 m-85 -29.82 -72.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -125.03 -26.87 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 21.5 mtmt -83.68 150.29 25.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.7 p -132.93 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 38.9 m-85 -139.58 120.95 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.465 ' OE2' HD13 ' A' ' 62' ' ' LEU . 33.7 tt0 -105.24 117.47 34.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 84' ' ' SER . 15.7 mt -120.77 154.36 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 45.4 t -124.61 129.68 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.33 140.36 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 t -72.86 -58.04 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 155.62 26.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -49.17 -42.51 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -47.99 -60.31 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -56.11 -53.6 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.78 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' GLU . 16.9 tt0 -54.75 -67.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' GLN . 35.2 mm-40 -37.28 -57.71 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.523 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 39.6 m95 -51.84 -67.86 0.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 72' ' ' PHE . 7.2 mt -43.58 -55.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -53.62 -46.31 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.41 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.3 mt -55.88 -55.21 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -48.56 -54.98 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.6 m -58.43 -49.74 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.6 m -46.55 -43.64 17.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.9 mt -67.63 -43.95 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -45.38 -44.68 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.9 mt -54.49 -36.15 63.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 mt -76.74 -29.15 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.8 mttm . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.849 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.583 ' CG2' HG13 ' A' ' 30' ' ' VAL . 3.7 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.03 -43.62 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 24.3 tttm -129.43 156.23 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 2.3 pt20 -158.38 132.56 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.88 173.48 46.05 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -88.14 117.02 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.438 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 65.7 mtm -127.95 147.2 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mtp -92.67 110.05 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.14 137.7 33.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.9 tttp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 97.7 m95 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.888 0.375 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -136.21 132.45 35.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.8 125.87 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -141.07 163.7 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 50.2 t-105 -89.07 133.47 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -121.58 127.07 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.583 HG13 ' CG2' ' A' ' 8' ' ' VAL . 98.6 t -110.95 95.43 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.09 120.1 15.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.631 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.3 mmtp -104.65 162.49 19.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.6 Cg_endo -69.82 -26.81 26.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -132.17 25.05 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HD23 ' A' ' 52' ' ' LEU . 2.4 tt -179.45 179.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.593 HG13 HD11 ' A' ' 53' ' ' LEU . 44.2 mt -147.59 105.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.7 t -98.58 167.27 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 24.5 p90 -153.81 118.39 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 12.5 m-85 -107.42 152.91 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.7 t -49.58 -43.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.61 179.3 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.9 pt-20 -84.65 33.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.2 -23.05 12.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.2 mt 62.8 42.96 7.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -111.19 -46.41 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.52 87.86 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -75.49 136.58 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 30.2 mmtt -89.43 -47.4 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.71 -151.04 7.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -160.12 137.54 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 81' ' ' PHE . 24.0 mt -107.45 94.98 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD23 HD11 ' A' ' 35' ' ' ILE . 26.2 mt -57.22 112.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD11 HG13 ' A' ' 36' ' ' ILE . 33.9 mt -79.47 138.25 37.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ASN . 29.0 t70 -159.83 148.42 17.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 3.1 pt-20 -34.37 -35.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 4.6 m-80 -63.92 -56.98 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.65 148.25 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.8 p -162.34 157.16 22.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 95' ' ' ILE . 10.6 p -107.02 147.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.56 155.82 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 p -97.4 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.55 HD11 ' CB ' ' A' ' 73' ' ' LEU . 48.5 mt -119.75 142.88 33.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.85 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.56 126.73 35.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HE3' HD13 ' A' ' 71' ' ' LEU . 11.4 ptpt -123.19 -46.72 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -110.17 58.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.83 36.8 92.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.8 mmtm -104.71 -176.32 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 3.1 mptp? -132.75 -58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.47 86.97 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 68' ' ' LYS . 7.7 mt -101.46 151.72 21.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -155.49 133.79 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.55 ' CB ' HD11 ' A' ' 62' ' ' LEU . 6.2 tt -116.77 142.43 46.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -104.56 128.53 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.638 ' HD3' HG22 ' A' ' 80' ' ' THR . 2.5 mmtp -106.23 150.4 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -143.1 175.7 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 56' ' ' ASN . 11.0 m-85 -33.73 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -117.8 -29.87 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -82.3 155.68 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.638 HG22 ' HD3' ' A' ' 75' ' ' LYS . 8.5 p -138.91 136.5 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.678 ' CD2' HD11 ' A' ' 51' ' ' ILE . 3.2 m-85 -126.25 143.49 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -126.28 132.92 51.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.6 mt -136.46 148.38 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 t -120.09 149.59 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.82 156.56 30.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -95.95 -48.07 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -108.38 139.03 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -45.99 -44.6 15.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -46.64 -55.78 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.47 -61.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 2.6 tmtt? -43.13 -67.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -49.02 -67.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 43.0 m95 -46.29 -63.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.538 HG23 ' CG1' ' A' ' 59' ' ' VAL . 6.8 mt -48.58 -41.08 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.5 -49.79 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.53 69.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.554 HG23 HD11 ' A' ' 36' ' ' ILE . 62.7 mt -58.12 -57.76 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -48.26 -56.61 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 m -57.89 -46.24 85.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.5 m -52.78 -32.1 41.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.69 -41.3 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.481 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.4 t60 -50.11 -41.09 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.2 mt -57.95 -31.53 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.4 mt -78.15 -21.16 50.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.448 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 81.2 mttt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.625 HG22 ' CG1' ' A' ' 30' ' ' VAL . 41.5 t . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 33' ' ' PRO . 51.1 mt -77.48 -60.45 2.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -126.67 153.98 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.73 135.85 9.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.35 168.62 40.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.67 101.75 12.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 110.969 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.526 ' HE2' ' CB ' ' A' ' 29' ' ' PHE . 53.7 mtm -110.24 162.02 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtp -109.65 110.7 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -103.85 147.86 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 12.2 ttpp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.421 ' CE3' ' OG ' ' A' ' 84' ' ' SER . 61.4 m95 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.826 0.346 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 p -138.93 123.41 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.52 144.73 46.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 28.0 mtm-85 -165.1 143.56 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 52.2 t-105 -71.11 135.98 47.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CB ' ' HE2' ' A' ' 14' ' ' MET . 10.6 m-85 -121.06 148.91 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.625 ' CG1' HG22 ' A' ' 8' ' ' VAL . 51.4 t -131.34 101.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 36' ' ' ILE . 29.7 tp -81.26 100.83 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.574 ' CB ' HG22 ' A' ' 35' ' ' ILE . 1.4 mmpt? -87.88 161.89 42.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.77 -22.85 31.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.616 2.21 . . . . 0.0 112.387 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -135.04 23.92 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.574 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.3 tt 179.93 177.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.423 HG12 HD12 ' A' ' 31' ' ' LEU . 43.2 mt -150.33 104.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 19.7 m -113.74 144.79 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 7.2 p90 -128.26 123.17 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -100.56 153.06 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -43.41 -41.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.43 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 3.9 m -140.55 -176.0 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.75 34.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -104.8 -26.18 12.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt 63.61 41.84 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -112.67 -44.21 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.41 92.37 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -75.25 144.58 42.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.56 -44.1 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -172.18 -159.75 19.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -154.12 135.42 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.669 HD11 ' CD2' ' A' ' 81' ' ' PHE . 69.0 mt -107.85 102.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.2 104.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 20.9 mt -70.33 139.03 51.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.3 m-20 -161.89 146.86 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 9.8 pt-20 -34.42 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.8 m120 -58.13 -57.14 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.443 ' O ' HD13 ' A' ' 102' ' ' ILE . 99.7 m -56.86 147.77 22.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.5 m -160.74 159.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG1' HG23 ' A' ' 95' ' ' ILE . 5.4 p -107.52 141.65 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.09 159.23 41.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.0 p -89.97 143.83 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 73' ' ' LEU . 20.1 mt -115.91 151.09 46.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -165.12 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.27 126.89 41.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.69 157.48 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 t70 44.71 34.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.33 45.64 94.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.536 ' CB ' HD11 ' A' ' 71' ' ' LEU . 27.1 mmtt -117.75 158.26 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.72 143.74 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.0 m 62.12 49.14 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.536 HD11 ' CB ' ' A' ' 68' ' ' LYS . 8.9 mt -85.79 145.87 27.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.0 p90 -146.88 136.34 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.943 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -123.82 151.3 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.8 t -108.38 128.43 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -104.87 117.39 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.65 176.7 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.0 m-85 -28.55 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -125.24 -31.18 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 19.9 mtmt -82.1 153.66 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -135.18 151.39 50.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 51' ' ' ILE . 24.7 m-85 -134.31 114.23 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -100.36 109.65 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.2 mt -115.24 152.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.421 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 2.5 p -125.53 133.1 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.28 178.12 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -111.91 -56.33 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -102.83 145.83 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -49.77 -44.26 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -53.4 -44.46 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -64.13 -59.92 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.28 -61.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 47.1 tt0 -55.47 -67.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.6 mm-40 -37.46 -50.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.45 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 37.6 m95 -55.92 -58.26 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.505 HG23 ' CG1' ' A' ' 59' ' ' VAL . 24.7 mt -53.66 -55.2 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -54.63 -44.62 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.2 -54.27 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.412 HG12 HD13 ' A' ' 31' ' ' LEU . 27.8 mt -58.18 -51.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -51.67 -52.85 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.1 m -59.55 -51.1 71.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.9 m -48.28 -41.41 27.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 57' ' ' CYS . 53.3 mt -63.63 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.39 -39.08 82.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.76 -25.64 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.06 -31.3 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 27.4 mttp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 33' ' ' PRO . 16.3 mt -89.6 -57.33 2.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.9 tttp -127.72 159.75 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.32 136.42 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.63 164.85 33.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -85.51 102.97 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.519 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 29.3 mtm -109.88 155.99 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.67 ' HE2' ' C ' ' A' ' 24' ' ' TRP . 22.4 mtp -104.47 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.23 152.47 19.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.515 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 34.4 tttt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.67 ' C ' ' HE2' ' A' ' 15' ' ' MET . 93.5 m95 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.869 0.366 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.552 ' N ' ' HE2' ' A' ' 15' ' ' MET . 8.9 t -138.34 137.52 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -70.96 103.35 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -121.35 132.19 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -63.78 144.03 57.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.8 m-85 -130.26 144.39 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -127.6 96.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HG ' HD12 ' A' ' 9' ' ' LEU . 23.7 tp -71.95 100.24 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.638 ' CB ' HG22 ' A' ' 35' ' ' ILE . 41.9 mmtt -81.3 163.48 54.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.548 0.69 . . . . 0.0 110.92 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.762 ' HA ' HD11 ' A' ' 9' ' ' LEU . 54.0 Cg_endo -69.76 -27.15 26.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' PRO . 1.5 m-20 -133.73 25.16 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.671 HD11 HD23 ' A' ' 52' ' ' LEU . 1.7 tt -178.61 -178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -148.7 104.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 m -113.88 145.33 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 9.3 p90 -124.77 140.25 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 23.1 m-85 -117.85 156.75 27.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.7 t -46.67 -48.61 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -133.98 -174.93 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -84.18 34.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -107.15 -29.31 9.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 16.4 mt 67.03 45.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 -40.33 3.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -112.24 85.33 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 29.0 ttpt -63.04 150.73 41.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -108.54 -43.34 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.91 -168.12 37.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -148.06 145.67 28.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 38.6 mt -116.85 98.05 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.671 HD23 HD11 ' A' ' 35' ' ' ILE . 45.2 mt -51.96 112.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.72 132.86 36.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -154.25 147.05 24.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 6.2 pt-20 -34.43 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.3 m-80 -60.0 -52.64 64.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.429 ' O ' HG21 ' A' ' 102' ' ' ILE . 90.8 m -52.74 133.43 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.1 m -141.41 159.92 41.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.7 p -118.92 140.45 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -133.19 159.52 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -102.42 120.5 40.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 73' ' ' LEU . 17.9 mt -93.01 150.91 40.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.78 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.367 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.95 115.69 28.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 147.65 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 52.3 36.88 20.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.51 46.79 74.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.619 ' CB ' HD11 ' A' ' 71' ' ' LEU . 35.4 mmtt -121.14 166.32 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -148.51 143.35 26.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.17 49.67 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' CB ' ' A' ' 68' ' ' LYS . 12.2 mt -88.76 139.76 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.591 ' HB3' HD11 ' A' ' 95' ' ' ILE . 33.9 p90 -140.38 129.92 24.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.7 tt -115.5 142.39 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.5 132.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.16 144.23 44.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.9 m -132.29 176.73 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 10.6 m-85 -30.25 -70.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.83 -29.33 4.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 79' ' ' LYS . 1.3 mtmp? -84.28 153.31 23.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.9 p -139.28 149.64 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 22.9 m-85 -139.52 145.83 39.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.71 125.64 38.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 6.6 mt -130.86 147.07 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 15' ' ' MET . 97.8 p -116.64 132.09 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.06 163.48 16.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.4 p -88.14 -33.96 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.34 175.57 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.74 -36.93 77.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -55.52 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -54.0 -53.26 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -66.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' GLU . 6.1 tp60 -56.77 -64.97 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' GLN . 29.7 mt-10 -37.34 -51.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.479 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 29.3 m95 -61.16 -66.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 72' ' ' PHE . 8.5 mt -42.06 -54.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.91 -39.26 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -55.16 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 mt -56.65 -45.37 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.49 -48.73 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 m -64.18 -49.1 73.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.0 m -49.71 -44.34 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 57' ' ' CYS . 29.1 mt -69.09 -43.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -48.26 -39.22 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.4 mt -60.14 -37.97 81.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 54' ' ' ASP . 29.7 mt -67.18 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.7 mttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.812 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 30' ' ' VAL . 93.4 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.883 0.373 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 33' ' ' PRO . 41.0 mt -78.38 -57.29 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.5 tttp -127.97 156.84 42.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -158.52 136.85 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.85 159.65 20.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.557 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -74.43 121.58 21.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.44 ' CE ' HG21 ' A' ' 83' ' ' ILE . 67.0 mtm -131.68 148.77 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.0 mtp -92.35 114.09 26.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -102.78 128.97 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.509 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 39.9 tttm . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.5 m95 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -124.39 135.2 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.6 133.88 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -152.69 159.3 43.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.536 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 38.6 t-105 -82.33 136.8 34.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 12.3 m-85 -125.51 127.76 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 8' ' ' VAL . 98.9 t -113.16 102.52 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.515 HD13 HG12 ' A' ' 98' ' ' ILE . 17.8 tp -79.76 100.08 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.603 ' CB ' HG22 ' A' ' 35' ' ' ILE . 42.2 mmtt -82.54 163.57 51.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.82 -24.59 29.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 24.36 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.603 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.02 178.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.674 HG13 HD11 ' A' ' 53' ' ' LEU . 62.3 mt -148.56 104.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 21.3 m -112.66 132.87 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 3.0 p90 -116.34 116.81 28.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 39.9 m-85 -92.58 141.34 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.54 -24.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -130.55 169.77 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.536 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.3 pt-20 -90.28 30.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -113.27 -15.19 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 23.8 mt 67.75 29.56 6.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -93.79 -42.36 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.01 107.77 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 21.1 ttpt -87.02 130.24 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.63 -43.32 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.82 -160.56 19.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.47 150.52 28.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.776 HD11 ' CD2' ' A' ' 81' ' ' PHE . 34.6 mt -126.02 94.67 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 35' ' ' ILE . 37.0 mt -53.96 105.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.674 HD11 HG13 ' A' ' 36' ' ' ILE . 34.6 mt -76.73 133.61 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.2 t70 -162.94 150.65 13.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 54' ' ' ASP . 15.7 pt-20 -28.91 -42.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.9 m-80 -57.36 -55.9 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' ASP . 69.2 m -57.63 148.34 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.532 ' O ' HG13 ' A' ' 74' ' ' VAL . 31.5 p -161.59 165.88 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.45 138.17 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -126.95 143.57 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.6 p -82.51 122.0 27.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.657 HD11 ' CB ' ' A' ' 73' ' ' LEU . 91.3 mt -97.49 153.81 38.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' O ' HD12 ' A' ' 71' ' ' LEU . 54.0 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.84 108.89 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HD3' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -142.42 150.65 40.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 72.72 34.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.22 48.75 62.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG3' HD11 ' A' ' 71' ' ' LEU . 66.4 mmtt -115.56 176.82 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.5 mptp? -130.86 -46.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 m -134.22 97.89 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 65' ' ' LYS . 33.4 mt -106.72 168.03 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.533 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 14.9 p90 -175.1 133.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.657 ' CB ' HD11 ' A' ' 62' ' ' LEU . 2.8 tt -125.81 155.41 41.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 58' ' ' CYS . 56.7 t -111.06 128.33 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -100.73 118.77 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -112.57 176.8 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.8 m-85 -28.39 -74.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -125.04 -24.9 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -87.67 155.14 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.439 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 64.3 p -132.47 160.83 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.776 ' CD2' HD11 ' A' ' 51' ' ' ILE . 32.6 m-85 -147.12 113.41 5.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.55 ' OE2' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -98.32 126.39 43.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.533 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 12.8 mt -130.29 142.93 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t -114.21 146.44 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.35 147.21 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -75.43 -58.62 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -113.4 145.1 41.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -41.95 -42.47 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -56.74 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -59.77 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -42.03 -65.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 93' ' ' GLU . 20.8 tt0 -51.63 -70.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' GLN . 9.7 mm-40 -37.01 -56.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.506 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 40.2 m95 -50.4 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.7 mt -44.85 -47.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.45 -44.61 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 -55.97 16.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.515 HG12 HD13 ' A' ' 31' ' ' LEU . 28.4 mt -56.04 -52.86 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -49.94 -55.43 14.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.9 m -57.52 -42.1 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.2 m -53.31 -42.25 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.51 -33.88 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -53.56 -36.07 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.2 mt -71.58 -34.92 70.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 54' ' ' ASP . 4.8 mt -62.6 -25.51 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.48 ' HG3' ' CB ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.66 HG21 HG13 ' A' ' 30' ' ' VAL . 7.5 p . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.5 -49.12 5.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 11.6 tttp -129.45 152.44 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.92 134.47 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.64 152.01 10.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -66.48 106.45 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.437 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 56.6 mtm -112.95 151.71 30.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.8 mtp -91.41 112.35 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' NZ ' ' CE2' ' A' ' 38' ' ' TYR . 21.2 tttt -100.62 118.58 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 16.7 ttpp . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.514 ' CZ2' ' HB2' ' A' ' 17' ' ' LYS . 77.3 m95 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -149.06 140.17 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.6 150.95 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -167.38 145.59 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 55.7 t-105 -72.62 132.12 43.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 12.9 m-85 -117.71 139.93 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 HG21 ' A' ' 8' ' ' VAL . 53.9 t -124.87 90.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.527 HD13 HG12 ' A' ' 98' ' ' ILE . 9.8 tp -70.94 106.01 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.59 ' CB ' HG22 ' A' ' 35' ' ' ILE . 2.4 mptt -91.12 165.44 21.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -25.64 28.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -134.73 25.48 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.59 HG22 ' CB ' ' A' ' 32' ' ' LYS . 4.7 tt -179.32 174.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -149.43 105.27 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 p -103.92 170.12 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 4.3 p90 -148.45 125.43 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -111.29 134.88 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' CG1' ' HD3' ' A' ' 48' ' ' LYS . 11.5 m -47.53 -19.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -140.66 172.44 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 12.4 pt-20 -90.08 27.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -104.33 -12.1 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.2 mt 58.02 37.78 26.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -110.46 -40.8 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -105.34 90.96 3.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.9 141.49 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.6 mmmt -103.11 -17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.93 -165.21 35.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -152.71 140.11 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 12.9 mt -105.71 93.91 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 35' ' ' ILE . 17.9 mt -55.38 105.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.567 HD22 HG12 ' A' ' 102' ' ' ILE . 12.8 mt -71.21 147.36 48.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HA ' HD13 ' A' ' 105' ' ' LEU . 19.0 t70 -174.04 148.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.492 ' OE2' ' ND2' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -34.37 -39.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.492 ' ND2' ' OE2' ' A' ' 55' ' ' GLU . 8.7 m-80 -57.54 -54.53 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.14 155.14 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 p -166.43 156.78 12.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.6 147.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -137.27 149.62 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 m -97.18 126.3 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 73' ' ' LEU . 19.3 mt -109.86 146.44 34.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -168.94 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.12 110.82 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HB3' HD13 ' A' ' 71' ' ' LEU . 14.4 ttmm -109.33 141.5 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 16.3 t70 34.66 46.34 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.49 55.98 7.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.654 ' CB ' HD11 ' A' ' 71' ' ' LEU . 15.2 mmtp -130.0 174.1 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -147.65 152.51 37.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.5 m 46.04 53.57 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.654 HD11 ' CB ' ' A' ' 68' ' ' LYS . 2.8 mt -86.84 166.14 15.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 28.5 p90 -167.66 134.99 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 62' ' ' LEU . 4.2 tt -127.94 147.29 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.35 128.46 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -104.14 122.47 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -113.93 176.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 12.5 m-85 -28.48 -72.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -125.31 -28.34 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -84.36 152.71 23.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 31.9 p -131.07 159.37 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.9 m-85 -145.03 122.05 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' CD ' ' HE3' ' A' ' 17' ' ' LYS . 7.8 tt0 -110.64 120.31 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.4 mt -126.31 151.43 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.9 t -122.61 131.59 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.29 158.56 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -81.97 -59.03 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -118.37 167.12 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.23 -32.41 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.52 -60.24 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.6 mptm? -54.59 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LYS . 7.4 tmtt? -36.39 -64.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' TRP . 2.2 tp60 -62.36 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' GLN . 32.3 mm-40 -37.66 -31.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.44 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 34.5 m95 -79.77 -65.75 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.419 HD11 ' CB ' ' A' ' 72' ' ' PHE . 11.4 mt -45.83 -42.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -58.29 -52.83 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.21 60.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.527 HG12 HD13 ' A' ' 31' ' ' LEU . 30.5 mt -57.16 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -43.36 -57.19 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 t -55.86 -53.13 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.0 m -43.82 -43.12 6.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.567 HG12 HD22 ' A' ' 53' ' ' LEU . 54.0 mt -71.21 -47.3 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -45.75 -41.84 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.6 mt -57.25 -33.42 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 54' ' ' ASP . 20.8 mt -73.22 -34.92 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 76.4 mttt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.834 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.794 ' CG2' HG13 ' A' ' 30' ' ' VAL . 7.1 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 33' ' ' PRO . 9.1 mt -79.09 -51.29 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 26.8 tttp -124.84 156.8 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 pt20 -158.58 132.89 7.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.432 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 176.67 145.67 5.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.3 118.06 8.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.378 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.1 mtm -127.98 151.94 48.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 mtp -95.7 118.01 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -103.16 139.54 38.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.9 tttp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.6 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.0 p -141.07 135.79 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.1 149.91 47.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -165.93 141.35 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 45.7 t-105 -67.39 135.69 53.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.67 130.95 53.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.794 HG13 ' CG2' ' A' ' 8' ' ' VAL . 97.8 t -116.45 95.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.548 HD12 HG12 ' A' ' 36' ' ' ILE . 37.3 tp -75.33 97.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.604 ' CB ' HG22 ' A' ' 35' ' ' ILE . 35.4 mmtt -79.6 163.8 56.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.74 -25.46 28.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -134.95 25.58 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.604 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.74 178.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.548 HG12 HD12 ' A' ' 31' ' ' LEU . 67.3 mt -149.38 104.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.1 m -108.57 154.3 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 11.5 p90 -130.75 127.91 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.5 m-85 -110.74 124.19 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -33.61 -33.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' TYR . 7.5 t -124.88 -175.03 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.41 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.0 pt-20 -104.36 28.86 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -101.46 -11.17 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt 60.08 33.56 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -109.31 -41.9 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.9 t0 -104.53 107.48 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 30.4 ttpt -100.6 144.6 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 48.1 mmtt -101.32 -45.53 5.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.18 -179.03 41.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.51 133.51 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.568 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 16.5 mt -97.55 97.74 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.8 mt -54.84 108.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 mt -76.02 150.12 37.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' GLU . 1.2 p30 -172.5 148.82 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 8.5 pt-20 -33.76 -51.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 m120 -49.75 -53.66 23.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.619 ' O ' HD13 ' A' ' 102' ' ' ILE . 62.0 m -54.74 139.61 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.7 t -153.95 169.64 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 95' ' ' ILE . 7.2 p -120.48 150.02 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -133.55 162.53 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -102.99 113.15 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 73' ' ' LEU . 19.1 mt -87.62 149.94 47.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -168.79 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -83.65 128.13 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.25 158.71 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 50.01 41.04 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.87 54.12 33.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HZ3' ' CB ' ' A' ' 84' ' ' SER . 32.9 mmtp -134.41 169.74 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.49 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -131.75 -41.31 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m -121.6 91.49 3.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 84' ' ' SER . 22.0 mt -113.24 153.27 28.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' ILE . 24.3 p90 -157.72 134.08 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 82' ' ' GLU . 4.6 tt -125.59 149.51 48.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.88 128.63 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -105.45 122.36 45.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.5 176.63 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.0 m-85 -30.1 -71.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -125.47 -26.01 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -84.48 151.1 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.407 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 34.7 p -133.06 154.92 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 32.8 m-85 -145.41 109.2 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.843 ' HB2' HD12 ' A' ' 73' ' ' LEU . 21.9 tt0 -94.33 119.79 33.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' PHE . 12.5 mt -121.29 151.03 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.435 ' HA ' HD23 ' A' ' 71' ' ' LEU . 31.6 t -116.28 141.0 48.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.96 160.65 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.8 t -87.2 -56.71 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.11 157.23 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -41.04 -38.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -51.25 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -53.42 -57.09 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HD3' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -45.82 -63.51 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 26.0 tt0 -58.66 -65.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 23.3 mm-40 -37.72 -55.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.511 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -56.03 -57.04 13.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.436 HG23 ' CG1' ' A' ' 59' ' ' VAL . 14.4 mt -50.05 -54.72 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -54.92 -42.8 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.87 -57.52 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.445 HG12 HD13 ' A' ' 31' ' ' LEU . 60.5 mt -57.83 -55.06 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -47.57 -56.67 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -57.47 -47.63 81.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -48.14 -37.69 16.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 57' ' ' CYS . 33.1 mt -68.11 -43.25 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 5.3 t60 -51.1 -40.26 58.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.27 -34.89 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.45 -32.88 68.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 61.8 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 30' ' ' VAL . 90.3 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -87.36 -54.46 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.9 tttp -124.11 153.17 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -158.46 127.84 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.63 162.86 33.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 4.5 m-85 -81.89 112.4 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.488 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 71.0 mtm -121.63 157.2 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mtp -97.18 122.13 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -111.02 128.32 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.1 tttm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 95.4 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.822 0.344 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.7 p -141.99 140.35 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 1.5 tp10 -73.12 137.09 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -148.27 141.45 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -77.1 125.08 28.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -108.94 148.02 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 8' ' ' VAL . 98.6 t -133.08 87.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.07 98.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.633 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.2 mmtp -81.18 163.15 56.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.854 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.547 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.75 -25.67 28.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.244 . . . . 0.0 112.399 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.01 26.35 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.638 HD11 HD23 ' A' ' 52' ' ' LEU . 2.4 tt -179.91 179.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG13 HD11 ' A' ' 53' ' ' LEU . 61.5 mt -148.83 105.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -108.86 170.04 8.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -150.07 117.52 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 9.3 m-85 -91.88 147.53 22.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 40' ' ' VAL . 2.3 p -56.79 -16.56 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -150.16 174.84 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -87.54 28.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.16 -13.33 17.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 20.7 mt 52.71 50.26 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -129.2 -38.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 40' ' ' VAL . 3.8 m-20 -106.52 85.03 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.545 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 7.9 ttmt -63.86 142.92 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.59 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 50' ' ' ASP . . . -169.56 -152.66 8.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -163.07 137.32 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 81' ' ' PHE . 89.5 mt -114.67 89.9 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 35' ' ' ILE . 26.4 mt -51.67 105.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 HG13 ' A' ' 36' ' ' ILE . 13.7 mt -71.62 142.65 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HA ' HD13 ' A' ' 105' ' ' LEU . 10.8 t70 -167.24 153.09 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 5.2 pt-20 -37.68 -50.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -49.93 -47.29 52.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.505 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 93.2 m -64.76 140.19 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 74' ' ' VAL . 23.0 m -156.29 165.26 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.728 HG11 HG23 ' A' ' 95' ' ' ILE . 6.7 p -105.58 149.33 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.5 125.32 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 p -74.43 129.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' ' 73' ' ' LEU . 62.8 mt -119.62 142.41 32.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.594 0.712 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.44 117.09 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.864 ' HD3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.36 -27.48 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' LYS . 10.8 t0 -128.51 76.61 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 35.32 30.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.717 ' HB2' HD11 ' A' ' 71' ' ' LEU . 23.2 mmtm -116.0 169.89 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -137.72 143.07 41.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.8 m 61.79 50.15 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' A' ' 65' ' ' LYS . 6.8 mt -82.74 150.31 26.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 46.8 p90 -151.09 135.21 16.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.648 ' HB3' HD11 ' A' ' 62' ' ' LEU . 5.1 tt -122.22 142.8 50.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 58' ' ' CYS . 92.3 t -104.7 135.27 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -110.72 130.72 55.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -124.51 176.42 6.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.6 m-85 -31.4 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -123.71 -28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -81.95 151.55 27.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.0 p -134.41 147.14 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.675 ' CD2' HD11 ' A' ' 51' ' ' ILE . 40.8 m-85 -137.67 130.38 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -117.73 125.41 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 7.3 mt -128.94 156.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.3 p -115.71 154.77 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 91' ' ' LYS . . . -120.02 152.24 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -82.24 -54.62 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.97 175.03 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -61.82 -30.93 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -61.52 -64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -47.4 -60.14 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.69 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' GLU . 29.5 tt0 -55.39 -65.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' GLN . 36.7 mt-10 -37.55 -44.65 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -66.93 -58.98 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.728 HG23 HG11 ' A' ' 59' ' ' VAL . 4.8 mt -51.88 -56.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -49.99 -41.67 47.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.65 -62.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 36' ' ' ILE . 18.1 mt -50.77 -52.75 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.28 -52.64 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.3 m -60.2 -48.42 81.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.1 m -49.07 -42.19 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 57' ' ' CYS . 38.7 mt -66.06 -47.46 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -42.91 -44.19 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.81 -36.6 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 54' ' ' ASP . 28.7 mt -75.42 -32.74 60.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 69.2 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.589 ' HB ' HG13 ' A' ' 30' ' ' VAL . 1.3 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.859 0.362 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 33' ' ' PRO . 7.4 mt -89.7 -51.35 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -122.35 153.68 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -158.85 132.64 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.38 170.88 44.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.7 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.954 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtm -114.49 151.47 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -98.88 112.38 24.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -96.91 142.91 28.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.7 tttp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.507 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 89.3 m95 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.849 0.357 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -133.44 138.92 46.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.35 131.27 40.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -145.78 144.84 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 33.8 t-105 -74.51 138.95 43.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 21.7 m-85 -127.5 136.85 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.589 HG13 ' HB ' ' A' ' 8' ' ' VAL . 44.2 t -120.37 94.4 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.1 96.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.642 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.9 mmtp -80.25 163.06 59.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.571 0.701 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.76 -26.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 27.44 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.642 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt 179.75 179.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.63 HG13 HD11 ' A' ' 53' ' ' LEU . 30.0 mt -148.71 105.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -112.41 133.9 54.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 6.7 p90 -119.18 116.76 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -91.17 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.6 -28.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -137.57 171.05 15.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.5 pt-20 -87.3 23.83 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.0 -21.6 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.5 mt 70.52 42.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -108.59 -47.53 3.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.69 98.26 6.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.92 138.44 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -79.74 -40.12 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.63 -169.6 42.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.548 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.05 143.46 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.574 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 86.1 mt -121.64 96.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.6 mt -59.87 109.79 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 36' ' ' ILE . 33.2 mt -79.7 142.41 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.7 t70 -170.81 152.59 3.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 16.9 pt-20 -32.68 -43.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 2.2 m-80 -55.92 -58.54 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.421 ' O ' HD13 ' A' ' 102' ' ' ILE . 87.3 m -58.95 143.44 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.545 ' O ' HG13 ' A' ' 74' ' ' VAL . 28.7 p -157.27 158.36 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.479 HG23 HG22 ' A' ' 74' ' ' VAL . 9.2 p -112.5 140.22 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -132.91 166.19 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.7 p -96.87 140.7 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.949 HD11 ' HB2' ' A' ' 73' ' ' LEU . 28.7 mt -110.91 153.5 43.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -173.03 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.14 119.71 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 12.0 ptpt -147.35 166.13 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 t70 41.43 41.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.02 51.08 58.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HG3' HD11 ' A' ' 71' ' ' LEU . 37.9 mmtm -117.84 174.76 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -133.86 -41.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.5 m -132.71 97.67 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 68' ' ' LYS . 15.6 mt -113.61 158.24 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.625 ' HB3' HD11 ' A' ' 95' ' ' ILE . 32.2 p90 -159.09 129.98 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.949 ' HB2' HD11 ' A' ' 62' ' ' LEU . 7.8 tt -117.89 146.72 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 58' ' ' CYS . 86.3 t -112.26 128.44 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.57 ' HD2' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -103.44 136.11 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.4 176.11 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 14.2 m-85 -33.28 -72.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -120.33 -31.95 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 166.18 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.5 p -142.06 161.2 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 80.2 m-85 -149.36 126.56 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -113.54 120.87 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 23.3 mt -123.14 154.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.459 ' N ' HG22 ' A' ' 83' ' ' ILE . 44.1 t -124.12 135.24 53.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -101.25 154.6 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -76.75 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -114.74 159.77 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 15.8 ptpt -48.74 -36.76 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 33.1 tttt -54.07 -64.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -52.77 -49.72 64.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 6.9 tmtt? -48.93 -57.21 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.33 -65.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -40.95 -47.9 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -62.96 -62.35 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 72' ' ' PHE . 15.2 mt -47.82 -57.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.37 -50.94 68.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.11 -48.6 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.11 -48.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -48.34 -57.9 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.5 t -56.51 -44.97 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.1 m -47.57 -40.84 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 57' ' ' CYS . 19.5 mt -74.52 -45.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 4.2 t60 -44.78 -49.18 10.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.2 mt -49.14 -36.03 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 mt -74.92 -39.59 61.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.483 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 85.1 mttt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.707 ' CG2' HG13 ' A' ' 30' ' ' VAL . 5.4 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 mt -79.07 -45.11 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 28.8 tttm -129.17 155.67 45.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 4.2 pt20 -158.52 134.45 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.67 147.29 6.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.451 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 15.2 m-85 -64.76 112.12 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . 0.552 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 24.6 mtm -115.89 163.03 16.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.4 mtp -111.52 111.82 23.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -101.72 137.95 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 33.3 tttm . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 70.0 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.359 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -147.98 136.86 21.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 12.1 tt0 -77.69 142.02 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -157.45 137.19 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 53.9 t-105 -67.44 114.64 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 15.6 m-85 -100.17 123.32 44.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG13 ' CG2' ' A' ' 8' ' ' VAL . 95.1 t -109.43 96.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 36' ' ' ILE . 46.5 tp -72.21 112.67 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.62 ' CB ' HG22 ' A' ' 35' ' ' ILE . 25.3 mmtt -96.59 163.68 19.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.544 0.688 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.0 Cg_endo -69.76 -26.19 27.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -135.01 26.95 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.62 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.1 tt 179.83 178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.576 HG12 HD12 ' A' ' 31' ' ' LEU . 87.6 mt -149.29 105.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.8 p -104.31 169.32 8.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.11 117.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 56.0 m-85 -103.67 125.01 49.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -34.5 -32.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.6 t -126.09 176.18 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 20.4 pt-20 -97.33 31.51 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.04 -8.83 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt 57.82 37.01 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -110.31 -46.0 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.0 t0 -103.34 113.36 26.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -101.19 147.12 26.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -106.56 -40.94 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.99 -172.94 37.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -146.8 131.3 17.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.806 0.336 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 33.3 mt -99.4 94.24 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 35' ' ' ILE . 19.7 mt -55.86 108.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 35' ' ' ILE . 19.4 mt -72.23 128.68 36.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HA ' HD13 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -139.15 141.34 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' ASP . 16.6 pt-20 -33.69 -40.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 m-80 -62.77 -55.66 24.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.572 ' O ' HD13 ' A' ' 102' ' ' ILE . 52.2 m -42.99 146.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.458 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.2 t -157.53 165.05 36.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 95' ' ' ILE . 7.3 p -122.42 144.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -136.3 164.69 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.5 p -103.72 133.0 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD11 ' CB ' ' A' ' 73' ' ' LEU . 63.1 mt -113.85 146.1 34.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.518 ' O ' HD12 ' A' ' 71' ' ' LEU . 53.6 Cg_endo -69.72 -169.01 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.36 125.66 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 9.2 ptpp? -118.58 -39.53 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 t70 -134.25 78.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 47.97 44.99 25.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HG3' HD21 ' A' ' 71' ' ' LEU . 55.8 mmtt -109.54 176.89 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.23 -55.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 91' ' ' LYS . 53.2 m -124.76 92.44 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 63' ' ' PRO . 15.6 mt -100.6 156.99 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.484 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 32.3 p90 -158.34 132.13 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 62' ' ' LEU . 7.0 tt -120.39 153.86 35.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 58' ' ' CYS . 95.2 t -114.37 128.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -108.62 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -112.32 176.43 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 12.3 m-85 -31.45 -68.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.28 -32.7 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.33 160.05 22.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 45.9 p -143.7 159.01 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 23.7 m-85 -143.91 129.71 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -111.72 122.74 48.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 14.3 mt -130.13 152.61 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 83' ' ' ILE . 34.0 t -124.12 135.82 53.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.95 154.69 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.6 t -89.3 -48.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.39 147.7 28.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -55.39 -43.99 75.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -56.77 -38.73 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.433 ' CE ' ' HE1' ' A' ' 94' ' ' TRP . 14.2 mtpt -62.81 -58.47 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.418 ' CB ' ' HB3' ' A' ' 70' ' ' CYS . 8.4 tmtt? -46.61 -59.69 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -55.63 -58.94 5.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -45.08 -59.73 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 43.5 m95 -46.48 -62.69 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.617 HG23 HG13 ' A' ' 59' ' ' VAL . 16.6 mt -49.29 -49.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -42.96 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.18 -56.46 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.7 mt -55.21 -50.77 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -50.25 -50.36 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.48 ' CG2' HD13 ' A' ' 53' ' ' LEU . 61.4 m -50.62 -48.51 57.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 57' ' ' CYS . 37.4 mt -61.49 -47.22 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.4 t60 -43.17 -40.66 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.26 -37.87 72.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 54' ' ' ASP . 14.7 mt -67.48 -34.24 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 70.3 mttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.836 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.571 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.7 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.854 0.359 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.09 -47.99 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 19.8 tttp -123.51 155.52 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.6 137.26 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.91 165.53 34.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 26' ' ' GLU . 4.9 m-85 -82.33 102.2 11.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 mtm -110.23 154.43 23.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 24' ' ' TRP . 74.7 mtp -102.73 115.2 30.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -99.52 127.12 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 20.0 tttm . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 98.8 m95 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.84 0.352 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -134.09 136.83 44.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 32.3 tt0 -72.09 100.48 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -116.67 132.08 56.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.5 t-105 -63.44 130.49 44.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -118.31 129.8 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.571 HG13 ' CG2' ' A' ' 8' ' ' VAL . 84.7 t -114.73 95.02 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.47 100.63 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.5 mmtp -83.72 162.51 52.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.541 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.79 -24.81 29.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.25 25.12 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.624 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.9 tt -179.78 178.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.478 HG13 HD11 ' A' ' 53' ' ' LEU . 44.1 mt -148.22 105.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -104.51 170.44 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.28 116.46 5.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 47' ' ' LYS . 53.5 m-85 -100.8 151.11 22.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -42.31 -48.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -131.86 -174.82 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.13 33.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -34.4 11.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.6 mt 69.85 41.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -118.79 -40.48 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.72 105.73 14.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 16.0 ttmt -81.7 152.53 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -113.75 -34.79 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -177.29 165.88 36.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.04 124.32 34.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 43.1 mt -97.84 97.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.51 109.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 36' ' ' ILE . 25.9 mt -77.1 134.97 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.4 p-10 -156.11 147.3 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' ASP . 7.1 pt-20 -34.5 -39.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -57.09 -58.97 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.407 ' O ' HD13 ' A' ' 102' ' ' ILE . 59.0 m -54.01 153.44 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.6 t -162.41 163.23 27.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.53 137.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -132.25 145.82 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -83.09 136.56 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 73' ' ' LEU . 69.7 mt -102.1 153.99 37.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -169.8 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.07 110.06 21.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 9.5 ptpt -135.77 174.23 10.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 28.5 t70 36.66 37.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.84 56.34 23.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.69 ' HG3' HD11 ' A' ' 71' ' ' LEU . 38.2 mmtm -118.92 -178.09 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -134.29 -44.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.7 m -132.45 96.41 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 68' ' ' LYS . 33.1 mt -112.0 147.98 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 7.7 p90 -148.33 131.21 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' ' 82' ' ' GLU . 5.2 tt -124.49 149.95 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 58' ' ' CYS . 89.3 t -105.0 128.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -103.43 115.78 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.518 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.9 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 76' ' ' CYS . 7.4 m-85 -28.49 -73.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.41 -27.71 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 34.8 mttt -83.5 149.47 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.7 p -128.14 157.27 41.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 64.7 m-85 -142.0 109.65 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HB2' HD12 ' A' ' 73' ' ' LEU . 37.2 tt0 -96.63 116.82 29.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.551 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.7 mt -124.22 152.63 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.2 t -124.6 132.5 53.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -94.0 177.85 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -92.06 -52.6 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -138.13 167.64 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -45.2 -42.06 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -51.62 -59.96 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 6.6 tmtt? -45.36 -60.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.6 tp60 -55.82 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 12.1 mm-40 -37.6 -56.28 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.447 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.4 m95 -52.0 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.453 HD11 ' CB ' ' A' ' 72' ' ' PHE . 18.4 mt -45.78 -53.17 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -54.9 -41.25 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.63 57.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.85 -55.32 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -47.88 -55.31 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.0 t -58.56 -42.67 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.454 ' CG2' HD13 ' A' ' 53' ' ' LEU . 34.4 m -51.94 -40.03 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 57' ' ' CYS . 56.5 mt -73.3 -40.47 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -55.08 -39.8 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.01 -31.65 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.23 -32.94 67.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 mttm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.853 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.3 p -130.24 118.83 21.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.0 m -132.89 109.6 9.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.94 75.94 1.25 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -120.96 124.07 44.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 m -125.33 138.13 54.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.43 -158.86 27.07 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.538 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG21 HG13 ' A' ' 30' ' ' VAL . 6.7 p -91.43 146.53 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.853 0.359 . . . . 0.0 111.118 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 33' ' ' PRO . 32.8 mt -92.42 -49.07 6.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.619 ' HB2' HD23 ' A' ' 31' ' ' LEU . 11.5 tttp -128.52 155.09 45.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 pt20 -158.51 136.39 10.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.99 173.5 45.04 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -87.01 114.58 23.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.894 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.451 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 43.6 mtm -123.76 158.31 32.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 35.0 mtp -99.99 109.43 21.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 81' ' ' PHE . 21.8 tptt -91.36 142.61 27.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 30.9 tttp -90.37 112.11 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' HIS . . . -74.67 94.22 0.85 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.464 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' GLY . 7.0 t-80 -34.41 -41.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.2 tpt85 -48.97 -55.0 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.7 mtt-85 -128.8 140.16 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.1 tptm -70.76 77.13 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -150.25 163.07 39.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.882 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.3 m95 -114.34 138.27 50.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.3 p -142.07 122.08 13.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -50.73 134.64 24.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.6 mtm-85 -154.21 142.05 20.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.508 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 60.7 t-105 -71.82 145.13 48.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 14.1 m-85 -129.91 140.7 50.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.647 HG13 HG21 ' A' ' 8' ' ' VAL . 61.8 t -125.0 91.54 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD23 ' HB2' ' A' ' 10' ' ' LYS . 4.4 tp -70.49 105.65 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.609 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.3 mptt -89.61 164.67 28.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.574 0.702 . . . . 0.0 110.886 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.636 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.8 Cg_endo -69.7 -26.39 27.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -133.7 25.16 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.609 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.4 tt -179.12 176.65 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.542 HG13 HD11 ' A' ' 53' ' ' LEU . 62.1 mt -148.28 104.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -99.6 164.61 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.555 ' CD2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -145.27 116.07 7.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.408 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.2 m-85 -105.94 150.24 25.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 37.0 t -44.86 -44.13 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 62.5 p -135.02 -174.96 3.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 12.6 pt-20 -86.27 33.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -103.97 -29.54 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.87 43.38 2.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -110.85 -42.11 4.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -111.18 88.37 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 24.2 ttpt -66.89 145.69 55.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HB2' ' CD2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -106.44 -43.47 4.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -175.73 175.11 47.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.21 135.08 38.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.595 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 6.3 mt -102.91 95.89 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.451 HD23 ' CD1' ' A' ' 35' ' ' ILE . 23.1 mt -55.95 101.24 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.542 HD11 HG13 ' A' ' 36' ' ' ILE . 38.4 mt -71.88 146.9 47.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.533 ' HA ' HD13 ' A' ' 105' ' ' LEU . 1.6 p30 -174.18 151.61 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 0.5 OUTLIER -34.69 -40.78 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -60.97 -49.92 75.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.552 ' O ' HD13 ' A' ' 102' ' ' ILE . 94.9 m -64.5 142.6 58.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 21.0 p -155.67 167.42 30.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.728 ' CG1' HG23 ' A' ' 95' ' ' ILE . 13.7 p -116.95 145.97 21.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -136.5 152.65 50.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 91.5 p -86.06 134.24 33.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 73' ' ' LEU . 42.2 mt -107.65 152.42 41.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -169.49 0.33 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.732 2.288 . . . . 0.0 112.322 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.74 126.56 36.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' LYS . 6.8 ptpp? -144.18 167.41 22.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 12.3 t0 35.53 37.12 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.898 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.1 45.29 96.86 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.477 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.712 ' HB2' HD11 ' A' ' 71' ' ' LEU . 32.5 mmtm -117.29 160.21 21.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -134.8 147.24 49.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 80.9 m 56.31 53.53 8.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.712 HD11 ' HB2' ' A' ' 68' ' ' LYS . 3.8 mt -89.69 150.19 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 32.6 p90 -151.86 156.44 40.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.571 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.2 tt -144.58 152.94 41.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.17 130.54 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.104 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -109.16 117.5 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.472 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.13 176.46 5.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 76' ' ' CYS . 8.6 m-85 -31.61 -69.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -125.64 -27.06 3.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.46 155.34 22.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.415 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 p -135.44 157.46 46.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.595 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.2 m-85 -145.42 111.75 5.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -100.82 117.15 34.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 16.1 mt -123.5 152.37 28.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 83' ' ' ILE . 43.2 t -120.16 135.3 55.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.35 163.57 12.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 15.1 t -85.29 -56.78 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.811 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -126.27 178.36 5.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -62.53 -36.04 81.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.05 -60.37 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' LYS . 5.7 mptt -58.17 -61.08 2.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' HD3' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -38.0 -60.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 94' ' ' TRP . 25.5 tt0 -64.9 -65.4 0.68 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -37.92 -32.88 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.507 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 33.9 m95 -79.15 -66.7 0.83 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.728 HG23 ' CG1' ' A' ' 59' ' ' VAL . 52.6 mt -44.61 -42.42 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -59.69 -50.4 73.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -62.78 -47.72 82.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 44.0 mt -57.72 -48.82 82.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -58.04 -48.67 79.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.1 p -63.16 -43.79 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 95.1 m -51.21 -39.31 56.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.084 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.552 HD13 ' O ' ' A' ' 57' ' ' CYS . 30.5 mt -72.01 -48.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.449 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.2 t60 -42.94 -44.61 4.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 77.9 mt -53.0 -36.98 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 54' ' ' ASP . 23.3 mt -71.03 -29.33 65.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.477 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 66.9 mttt -63.07 -41.86 99.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 107' ' ' LEU . 3.9 mm? -46.38 -51.64 14.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.932 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -108.89 88.58 0.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 18.2 p -110.13 118.99 37.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.6 t -105.41 139.18 40.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.402 ' HA2' ' HD2' ' A' ' 112' ' ' PRO . . . -78.37 116.67 4.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.402 ' HD2' ' HA2' ' A' ' 111' ' ' GLY . 53.9 Cg_endo -69.76 142.77 48.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.33 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 22.0 p -80.4 109.35 14.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.2 p -102.3 163.32 12.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.499 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m -109.35 106.03 15.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.893 0.378 . . . . 0.0 110.865 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -133.43 126.81 32.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.47 133.02 1.52 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.482 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -156.69 175.86 13.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 7' ' ' GLY . 1.7 t -85.91 174.94 8.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -35.94 -68.3 0.3 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG13 HG13 ' A' ' 30' ' ' VAL . 88.1 t -36.17 112.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.915 0.388 . . . . 0.0 111.145 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 46.9 mt -82.55 -60.99 2.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.7 tttp -126.49 156.08 41.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -158.44 124.82 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.971 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.06 176.2 42.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.505 ' CZ ' ' HB3' ' A' ' 42' ' ' GLU . 18.5 m-85 -91.74 103.77 16.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.382 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.478 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 67.7 mtm -114.78 158.61 21.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.883 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 21.9 mtp -100.67 116.24 32.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -106.24 142.92 35.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 17.4 ttpp -91.77 123.97 35.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 19' ' ' HIS . . . -38.4 137.59 0.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 18' ' ' GLY . 8.4 m-70 -36.03 -53.79 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -130.81 41.03 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 19.4 mtm105 -142.5 128.75 19.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -82.98 52.27 2.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -129.95 87.61 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.421 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 93.3 m95 -55.75 143.5 30.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.5 p -152.12 139.52 19.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' O ' ' CG ' ' A' ' 27' ' ' ARG . 4.6 tp10 -68.3 146.52 53.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.469 ' CG ' ' O ' ' A' ' 26' ' ' GLU . 18.4 mtt-85 -166.33 142.68 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.529 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 53.2 t-105 -72.71 136.08 45.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -122.58 149.72 43.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.683 HG13 HG13 ' A' ' 8' ' ' VAL . 46.7 t -134.54 97.5 2.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.463 HD12 HG12 ' A' ' 36' ' ' ILE . 23.2 tp -73.53 94.95 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.616 ' CB ' HG22 ' A' ' 35' ' ' ILE . 5.4 mptt -77.47 164.82 55.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.584 0.707 . . . . 0.0 110.877 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -28.8 24.6 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.314 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 34' ' ' ASN . 51.8 t-20 -131.95 25.31 4.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.616 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.0 tt -178.5 177.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG12 HD12 ' A' ' 31' ' ' LEU . 37.7 mt -148.09 104.99 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.4 m -101.46 169.94 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.525 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 30.6 p90 -152.16 117.41 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.943 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CG ' ' HA ' ' A' ' 44' ' ' LEU . 47.5 m-85 -102.49 135.29 44.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 m -48.27 -19.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.8 m -138.64 174.83 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.7 pt-20 -93.05 27.99 2.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -104.12 -21.67 13.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.406 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 15.7 mt 69.31 36.72 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -111.41 -47.46 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -100.14 97.72 8.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.857 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 ttpt -92.76 144.6 25.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.525 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 7.0 mmtp -99.94 -39.7 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.22 -164.2 28.16 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.494 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -151.49 139.04 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.794 HD11 ' CD2' ' A' ' 81' ' ' PHE . 25.9 mt -104.4 98.73 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.509 HD23 HD11 ' A' ' 35' ' ' ILE . 42.4 mt -57.06 105.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 53' ' ' LEU . 12.9 mt -71.98 134.11 45.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -157.49 150.84 23.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -38.1 -35.08 0.14 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.634 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 30.1 m-80 -63.09 -57.04 11.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.404 ' O ' HD13 ' A' ' 102' ' ' ILE . 88.6 m -54.08 147.51 12.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.434 ' O ' HG13 ' A' ' 74' ' ' VAL . 28.2 p -157.56 167.37 30.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -120.79 138.57 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.576 ' OE2' HD21 ' A' ' 62' ' ' LEU . 10.1 pt-20 -133.85 137.82 45.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 72.9 p -82.68 127.82 33.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD21 ' OE2' ' A' ' 60' ' ' GLU . 41.7 mt -108.6 143.26 27.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -163.8 0.11 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.665 2.243 . . . . 0.0 112.348 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.75 125.05 29.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -54.76 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 13.6 t70 -121.7 59.28 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 62.68 37.25 94.49 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.583 ' HB2' HD11 ' A' ' 71' ' ' LEU . 24.2 mmtt -110.6 169.99 8.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -142.36 141.33 32.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.4 m 58.09 48.84 12.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.583 HD11 ' HB2' ' A' ' 68' ' ' LYS . 9.4 mt -81.19 149.05 29.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 27.2 p90 -152.12 130.08 11.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.479 ' C ' HD23 ' A' ' 73' ' ' LEU . 6.6 tt -119.94 144.99 47.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 58' ' ' CYS . 99.6 t -104.5 128.57 57.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -106.45 122.65 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.11 176.37 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.634 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 8.4 m-85 -32.79 -70.41 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.885 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.76 -25.67 3.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.2 ptpt -86.83 160.07 18.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.79 149.35 36.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.794 ' CD2' HD11 ' A' ' 51' ' ' ILE . 11.5 m-85 -136.47 117.35 14.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -104.82 119.89 40.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.579 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.1 mt -123.91 159.92 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.138 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.525 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.6 p -130.39 126.75 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -85.69 172.84 10.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -99.73 -54.0 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.66 156.9 35.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -45.69 -39.79 8.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -55.92 -58.55 7.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -53.49 -61.13 2.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -43.12 -66.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 30.6 tt0 -51.04 -67.56 0.24 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 6.0 mm-40 -37.85 -46.05 0.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.521 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.5 m95 -64.65 -64.33 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.543 HD11 ' HB3' ' A' ' 72' ' ' PHE . 3.5 mt -46.1 -54.32 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 76.1 mm-40 -54.14 -51.31 64.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.51 -45.11 81.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 20.3 mt -63.22 -54.57 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -46.18 -58.83 3.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 45.3 t -52.79 -51.53 60.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 55.6 m -46.46 -39.75 11.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.123 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.456 HG22 ' HE3' ' A' ' 106' ' ' LYS . 64.1 mt -74.96 -44.28 44.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.461 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.7 t60 -49.91 -40.28 42.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.8 mt -59.27 -30.33 68.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.3 mt -84.18 -22.12 31.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.456 ' HE3' HG22 ' A' ' 102' ' ' ILE . 84.3 mttt -66.52 -40.54 89.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -43.15 -42.76 4.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.93 -58.22 10.32 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 87.5 p -49.89 124.44 9.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.879 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 92.9 p -107.16 155.71 19.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.7 -95.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' SER . 54.3 Cg_endo -69.72 -8.24 23.11 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.355 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' PRO . 88.6 p -34.66 144.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.855 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 113' ' ' SER . 14.6 m -37.94 130.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -107.18 144.03 34.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.9 t -56.9 91.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.898 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.34 75.43 1.21 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m -93.12 175.92 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -96.04 88.05 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.458 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 131.7 -179.41 17.14 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.66 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.1 p -33.2 128.6 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.876 0.369 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 33' ' ' PRO . 8.6 mt -86.46 -55.03 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HE2' ' CD1' ' A' ' 94' ' ' TRP . 28.5 tttp -118.24 156.53 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -158.56 136.15 10.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.446 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 178.88 163.67 30.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -77.33 106.46 9.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.538 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 56.8 mtm -118.92 150.95 39.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.7 mtp -104.2 124.36 48.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HZ2' ' HZ ' ' A' ' 29' ' ' PHE . 3.9 ttpm? -111.98 139.29 47.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 20.4 ttpp -83.23 115.02 21.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.15 -160.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -109.66 -52.04 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.771 0.32 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -45.31 -56.68 4.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 2.5 tpm_? -140.34 163.81 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 ptpp? -75.67 53.71 0.74 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -94.89 122.29 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 91.3 m95 -95.22 126.24 40.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.1 p -129.13 134.79 48.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -69.05 101.23 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.687 ' NH1' HG22 ' A' ' 40' ' ' VAL . 9.5 tpt180 -117.76 135.99 53.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 48.5 t-105 -68.48 126.5 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' HZ ' ' HZ2' ' A' ' 16' ' ' LYS . 19.8 m-85 -111.87 147.2 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 ' CG2' ' A' ' 8' ' ' VAL . 61.3 t -129.66 95.46 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.499 HD12 HG12 ' A' ' 36' ' ' ILE . 55.2 tp -71.53 96.29 1.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.945 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.646 ' CB ' HG22 ' A' ' 35' ' ' ILE . 39.9 mmtt -78.28 162.94 64.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.579 0.704 . . . . 0.0 110.906 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.544 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.9 Cg_endo -69.76 -25.91 28.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 61.2 m-20 -135.04 26.38 3.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 52' ' ' LEU . 2.3 tt -179.69 -179.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.557 HG13 HD11 ' A' ' 53' ' ' LEU . 49.4 mt -148.42 105.05 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 68.5 m -116.94 149.42 40.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.806 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -126.21 137.3 53.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.422 ' CE1' ' HB2' ' A' ' 47' ' ' LYS . 86.9 m-85 -111.61 148.55 33.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.687 HG22 ' NH1' ' A' ' 27' ' ' ARG . 92.6 t -42.31 -38.8 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 t -143.72 -175.24 4.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.579 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.19 32.16 0.5 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -102.61 -29.26 11.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' CD2' ' A' ' 39' ' ' TYR . 18.6 mt 68.77 44.01 1.18 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -118.09 -40.72 2.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -114.38 107.09 15.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' HG2' ' N ' ' A' ' 48' ' ' LYS . 1.4 ttmp? -97.47 155.46 16.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 24.8 mmtt -105.15 -35.14 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 178.11 -171.98 44.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -137.5 145.31 42.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.567 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 77.9 mt -112.79 88.88 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.73 HD23 HD11 ' A' ' 35' ' ' ILE . 27.5 mt -51.17 109.94 0.38 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.947 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD11 HG13 ' A' ' 36' ' ' ILE . 37.8 mt -77.36 146.29 36.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' O ' ' C ' ' A' ' 55' ' ' GLU . 28.5 m-20 -164.94 149.28 9.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 7.9 pt-20 -33.81 -37.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.1 m-80 -61.85 -55.21 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.522 ' O ' HD13 ' A' ' 102' ' ' ILE . 90.3 m -54.84 145.39 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.49 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.5 t -159.36 164.68 34.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.407 HG13 HG23 ' A' ' 95' ' ' ILE . 7.6 p -117.7 143.79 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -135.47 159.76 40.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.5 p -96.13 126.2 41.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.898 HD11 ' HB2' ' A' ' 73' ' ' LEU . 43.9 mt -97.28 146.22 30.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.653 0.739 . . . . 0.0 110.922 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.6 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.672 2.248 . . . . 0.0 112.326 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -77.5 119.87 21.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -146.5 164.58 32.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 65' ' ' LYS . 14.7 t0 35.8 42.57 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.822 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 53.75 46.79 66.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.669 ' CB ' HD11 ' A' ' 71' ' ' LEU . 16.6 mmtm -122.99 179.54 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 70' ' ' CYS . 0.0 OUTLIER -150.49 167.9 25.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 69' ' ' LYS . 59.4 m 34.96 50.51 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.669 HD11 ' CB ' ' A' ' 68' ' ' LYS . 4.2 mt -85.56 152.03 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 30.0 p90 -152.11 130.01 11.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.898 ' HB2' HD11 ' A' ' 62' ' ' LEU . 6.5 tt -118.66 144.35 46.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 58' ' ' CYS . 79.4 t -106.35 128.56 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.115 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.402 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 7.0 mtpm? -105.23 127.13 52.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -118.42 176.43 5.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.3 m-85 -32.07 -72.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -122.84 -27.84 4.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -84.0 155.24 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.3 p -136.58 152.75 50.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 47.1 m-85 -141.54 125.42 17.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -110.84 109.91 20.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.567 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.2 mt -113.0 154.95 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 37.1 t -119.15 130.22 55.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.14 145.47 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.6 t -75.96 -58.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -124.85 155.29 39.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -42.95 -36.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 47.0 tttt -59.78 -53.23 60.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -56.62 -60.84 2.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -36.52 -59.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 94' ' ' TRP . 6.1 tp60 -62.09 -72.22 0.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 92' ' ' GLN . 7.3 mm-40 -37.37 -30.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.538 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 36.7 m95 -80.53 -57.18 3.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 72' ' ' PHE . 22.1 mt -57.06 -49.45 79.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -59.03 -46.37 88.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -59.43 -52.7 64.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 22.9 mt -59.89 -49.74 82.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -47.75 -55.34 9.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 36.3 t -61.4 -51.02 70.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.9 m -44.39 -38.5 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 57' ' ' CYS . 71.2 mt -74.04 -47.33 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.453 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.5 t60 -47.85 -40.12 20.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.3 mt -57.63 -31.25 66.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.05 -29.53 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 99.4 mttt -61.23 -38.89 88.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.56 -45.48 57.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -71.52 89.61 0.45 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.0 p -81.57 46.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 110.824 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 m -51.25 -56.94 10.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -69.31 137.09 28.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 128.79 16.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.673 2.248 . . . . 0.0 112.379 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.3 t -85.4 126.91 34.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.8 p -71.97 110.93 6.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -161.51 152.25 17.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.61 ' HB2' HD22 ' A' ' 9' ' ' LEU . 44.8 p -105.85 133.78 50.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.844 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.95 -46.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 p -85.05 156.57 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -48.46 128.45 14.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.854 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.445 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 154.03 123.16 0.89 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.493 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.6 p -33.65 127.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.61 HD22 ' HB2' ' A' ' 3' ' ' SER . 12.0 mt -86.69 -47.03 9.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.5 tttm -127.89 154.03 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -158.08 130.29 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . -176.77 166.78 37.8 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.462 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 11.1 m-85 -81.09 115.92 20.77 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.454 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 68.1 mtm -127.38 150.83 49.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.3 mtp -92.14 111.92 23.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.27 135.21 44.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.437 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.3 tttm -91.32 98.1 11.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.42 141.98 47.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.501 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -39.02 -62.19 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 110.841 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -93.25 160.25 14.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.837 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' LYS . 3.5 tpt180 67.0 53.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -34.17 105.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -171.44 175.82 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.2 m95 -122.58 129.79 52.3 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.8 p -134.02 132.66 40.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 46.4 tt0 -69.62 96.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.43 ' NH1' ' HD2' ' A' ' 48' ' ' LYS . 8.0 tpp180 -113.77 137.62 51.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 48.7 t-105 -68.07 139.89 56.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 15.8 m-85 -129.04 125.22 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.837 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG13 ' CG2' ' A' ' 8' ' ' VAL . 93.7 t -109.13 96.07 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.664 HD12 HG12 ' A' ' 36' ' ' ILE . 52.4 tp -70.31 119.07 13.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.636 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.6 mmtt -103.0 162.78 19.07 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.2 Cg_endo -69.79 -25.77 28.13 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -133.94 25.59 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.636 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.59 178.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.675 HG13 HD11 ' A' ' 53' ' ' LEU . 37.1 mt -148.18 105.02 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.122 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.6 167.79 9.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.591 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 13.3 p90 -150.4 116.26 5.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -101.76 168.5 9.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.902 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.9 t -58.34 -55.73 20.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.113 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.0 p -123.29 -175.2 3.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 16.4 pt-20 -84.69 30.94 0.54 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.428 ' CG ' ' HG3' ' A' ' 45' ' ' LYS . 19.7 t0 -105.11 -27.53 11.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.438 HD22 HG21 ' A' ' 30' ' ' VAL . 17.5 mt 66.46 39.91 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' HG3' ' CG ' ' A' ' 43' ' ' ASP . 17.9 mtpp -100.85 -39.81 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.873 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -117.55 113.08 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.9 ttpt -86.48 144.99 27.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD2' ' NH1' ' A' ' 27' ' ' ARG . 8.6 mmpt? -102.89 -42.65 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.911 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -173.54 -153.77 9.98 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -159.7 146.95 16.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.331 . . . . 0.0 110.829 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 37.4 mt -117.05 93.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.476 HD23 HD11 ' A' ' 35' ' ' ILE . 25.2 mt -54.46 113.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.675 HD11 HG13 ' A' ' 36' ' ' ILE . 36.2 mt -81.68 141.67 33.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.467 ' O ' ' C ' ' A' ' 55' ' ' GLU . 8.0 m-20 -161.88 150.2 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.493 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 11.5 pt-20 -33.02 -42.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 77' ' ' PHE . 5.5 m-80 -58.93 -55.63 32.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.495 ' O ' HD13 ' A' ' 102' ' ' ILE . 99.0 m -51.89 140.92 18.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.457 ' O ' HG13 ' A' ' 74' ' ' VAL . 29.9 p -156.18 168.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.659 ' CG1' HG23 ' A' ' 95' ' ' ILE . 8.8 p -123.57 140.33 47.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -124.54 161.36 26.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.2 p -100.81 103.45 14.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.0 mt -76.57 147.45 78.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.649 0.738 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -164.04 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 2.267 . . . . 0.0 112.333 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -87.12 121.93 30.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.5 pttp -146.7 160.36 42.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 45.19 42.46 6.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 64.72 35.48 91.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.48 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HG3' HD11 ' A' ' 71' ' ' LEU . 64.8 mmtt -103.82 172.71 6.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.65 -38.38 1.02 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 75.0 m -131.92 96.27 3.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD11 ' HG3' ' A' ' 68' ' ' LYS . 26.3 mt -114.04 164.01 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.7 p90 -168.41 130.42 1.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.459 ' C ' HD23 ' A' ' 73' ' ' LEU . 4.8 tt -119.91 152.79 36.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 58' ' ' CYS . 86.8 t -111.95 128.63 68.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 tppp? -106.0 115.38 30.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.477 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -109.6 176.66 4.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 56' ' ' ASN . 8.7 m-85 -30.66 -71.81 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -124.68 -27.73 3.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt -82.42 162.22 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.462 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 18.7 p -141.5 158.38 43.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 49.5 m-85 -150.67 113.99 4.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.425 ' HB2' HD12 ' A' ' 73' ' ' LEU . 19.9 tt0 -102.32 126.83 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 10.3 mt -132.31 150.88 33.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.413 ' CB ' HD23 ' A' ' 71' ' ' LEU . 31.2 t -115.22 150.2 36.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.61 158.1 23.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.2 t -86.09 -62.09 1.6 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -113.99 145.15 41.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -41.21 -41.41 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -50.13 -56.13 12.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -58.03 -50.47 73.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.03 -67.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -49.66 -52.4 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -50.74 -60.63 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 33.8 m95 -48.63 -60.62 2.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.659 HG23 ' CG1' ' A' ' 59' ' ' VAL . 4.9 mt -49.44 -48.61 19.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -57.7 -43.46 85.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.66 -50.96 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.049 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.497 HG23 HD11 ' A' ' 36' ' ' ILE . 21.1 mt -58.93 -56.48 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -45.09 -51.27 10.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 49.7 m -59.09 -46.93 87.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 33' ' ' PRO . 58.8 m -48.44 -44.43 35.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.131 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.495 HD13 ' O ' ' A' ' 57' ' ' CYS . 23.4 mt -68.85 -37.89 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.512 ' HA ' ' CD ' ' A' ' 106' ' ' LYS . 10.0 t60 -49.28 -45.38 44.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.8 mt -60.14 -32.1 70.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.951 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 53' ' ' LEU . 47.0 mt -72.94 -33.76 66.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.512 ' CD ' ' HA ' ' A' ' 103' ' ' HIS . 3.2 mtpm? -65.39 -44.12 88.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.923 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 103' ' ' HIS . 3.6 mm? -44.61 -51.99 8.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 109' ' ' SER . . . -69.99 -97.12 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.479 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 108' ' ' GLY . 42.2 t -34.81 110.94 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.903 0.382 . . . . 0.0 110.825 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.2 p -51.55 135.78 27.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.816 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -120.78 69.67 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -179.48 2.96 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.636 2.224 . . . . 0.0 112.323 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.2 m -49.06 134.35 17.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.816 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.5 p -116.87 42.11 2.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.9 t 36.88 42.23 0.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -118.73 -46.04 2.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.25 133.3 7.41 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.456 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -81.55 148.19 29.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.888 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -55.67 -52.21 64.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -97.34 -104.18 2.26 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.559 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.4 p -33.78 126.91 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 111.127 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 19.9 mt -81.23 -48.98 11.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -127.6 153.45 46.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -158.6 133.21 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.75 159.98 24.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CD1' ' OE2' ' A' ' 26' ' ' GLU . 5.8 m-85 -71.05 120.89 17.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.894 0.378 . . . . 0.0 110.892 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 54.2 mtm -127.61 147.37 50.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.4 mtp -92.35 111.14 22.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -102.48 133.5 47.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 tttm -71.97 115.38 11.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.78 131.57 3.09 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.5 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -42.25 -50.49 4.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.2 -44.09 5.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 54.1 mmm-85 -75.08 168.45 19.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 23' ' ' ASN . 3.6 mppt? -106.09 -55.78 2.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 22' ' ' LYS . 63.3 m-80 -34.18 109.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -59.19 153.02 19.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.5 p -142.4 131.82 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.489 ' OE2' ' CD1' ' A' ' 13' ' ' TYR . 31.6 tt0 -64.63 129.76 41.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.7 mmt85 -145.81 141.34 27.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.2 t-105 -75.25 137.22 41.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 14.9 m-85 -124.28 143.89 50.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.559 HG13 ' CG2' ' A' ' 8' ' ' VAL . 93.2 t -125.63 98.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 HG12 ' A' ' 36' ' ' ILE . 61.3 tp -74.84 103.5 5.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.645 ' CB ' HG22 ' A' ' 35' ' ' ILE . 20.7 mmtt -86.59 162.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.592 0.71 . . . . 0.0 110.872 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.545 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.6 Cg_endo -69.68 -26.02 28.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.728 2.285 . . . . 0.0 112.368 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -134.97 26.8 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.645 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.99 179.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.574 HG12 HD12 ' A' ' 31' ' ' LEU . 36.3 mt -148.78 105.02 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 m -115.81 141.65 47.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.585 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 1.6 p90 -123.32 130.27 52.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 45.2 m-85 -100.82 144.63 29.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' CE ' ' A' ' 48' ' ' LYS . 7.9 p -52.82 -25.23 8.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.2 p -135.69 170.59 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.8 pt-20 -85.78 28.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -106.45 -26.84 11.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.0 mt 74.09 38.0 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -107.88 -42.71 4.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -112.26 81.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.539 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 8.0 ttpm? -60.12 133.74 56.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.463 ' CE ' ' HB ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -81.39 -39.8 24.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.446 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . 177.82 -178.93 48.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.8 m-20 -132.13 153.14 50.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.323 . . . . 0.0 110.843 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.585 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 55.7 mt -127.86 96.71 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 35' ' ' ILE . 33.6 mt -56.41 105.75 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD13 HG22 ' A' ' 101' ' ' THR . 31.6 mt -69.28 139.61 54.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 64.5 m-20 -161.54 143.93 11.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -34.59 -38.12 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -59.63 -54.17 49.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.489 ' O ' HD13 ' A' ' 102' ' ' ILE . 85.3 m -61.16 145.58 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.529 ' O ' HG13 ' A' ' 74' ' ' VAL . 3.8 m -159.72 160.99 34.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.914 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.547 HG13 HG23 ' A' ' 95' ' ' ILE . 7.2 p -108.4 148.15 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -137.9 174.63 10.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.0 t -112.54 128.21 56.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 HD11 ' HB2' ' A' ' 73' ' ' LEU . 94.1 mt -100.98 147.98 34.45 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.488 ' O ' HD12 ' A' ' 71' ' ' LEU . 53.2 Cg_endo -69.84 -165.36 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.324 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.42 105.76 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HB3' ' CD1' ' A' ' 71' ' ' LEU . 11.6 ttmm -112.38 143.21 43.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 39.97 34.14 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 71.26 1.13 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.444 ' HG3' HD11 ' A' ' 71' ' ' LEU . 20.7 mmtm -125.72 177.93 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -130.79 -41.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.875 179.862 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 91.5 m -130.87 96.06 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.488 HD12 ' O ' ' A' ' 63' ' ' PRO . 26.2 mt -114.8 162.56 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.575 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 18.4 p90 -171.25 132.14 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.58 HD23 ' N ' ' A' ' 74' ' ' VAL . 5.4 tt -124.15 155.37 38.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.58 ' N ' HD23 ' A' ' 73' ' ' LEU . 86.8 t -117.01 128.45 74.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.23 135.52 39.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -130.62 176.6 8.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.6 m-85 -30.1 -75.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -124.35 -23.71 4.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -87.31 154.37 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.7 p -134.14 139.91 46.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.585 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 41.5 m-85 -122.93 117.14 24.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -103.91 124.9 49.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.6 mt -132.7 154.58 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 83' ' ' ILE . 47.6 t -128.32 132.1 48.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.07 162.83 13.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.076 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.8 t -94.36 -55.19 3.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -108.52 152.75 24.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.0 mtpt -54.53 -44.66 73.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -51.07 -49.46 60.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mttt -63.18 -54.99 28.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.08 -64.56 0.65 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 31.2 tt0 -57.53 -65.67 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 20.1 mm-40 -37.29 -45.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -63.75 -59.24 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.547 HG23 HG13 ' A' ' 59' ' ' VAL . 14.9 mt -50.81 -45.99 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -63.48 -49.68 72.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.53 75.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.098 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 54.4 mt -69.31 -51.98 37.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -43.96 -59.82 2.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.858 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.7 m -56.16 -46.0 79.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 53' ' ' LEU . 87.6 m -46.6 -42.97 16.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 57' ' ' CYS . 33.6 mt -71.54 -40.42 71.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.144 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -48.6 -42.8 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 49.6 mt -55.77 -35.48 66.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.5 mt -71.36 -37.32 71.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 34.2 mttp -54.09 -43.81 70.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 107' ' ' LEU . 3.9 mm? -46.33 -52.19 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -101.67 110.9 3.95 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.539 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 30.9 m -160.07 132.49 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.851 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.2 t -121.97 129.42 52.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -120.49 -83.05 0.74 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.47 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 131.36 21.09 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 36.5 m -47.17 121.38 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.4 t -49.09 -41.48 35.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.3 m -73.55 -45.72 51.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.3 m -98.69 171.06 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.56 -44.07 1.43 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -80.35 169.49 17.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.0 m -118.69 90.24 3.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.69 -116.58 1.29 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.4 p -53.79 128.84 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 111.083 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 mt -84.52 -45.36 12.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.937 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 31.2 tttp -129.16 155.52 45.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.6 pt20 -157.44 132.1 8.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.27 168.39 41.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.482 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.428 ' CG ' ' OE2' ' A' ' 26' ' ' GLU . 5.2 m-85 -86.04 110.13 19.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 110.906 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.519 ' HE3' HG21 ' A' ' 83' ' ' ILE . 69.7 mtm -121.55 157.99 29.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.838 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 45.2 mtp -104.91 111.85 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -97.24 129.25 44.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.544 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 23.4 tttp -70.19 110.73 5.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.69 -131.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -127.49 -45.85 1.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.826 0.346 . . . . 0.0 110.857 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -54.78 178.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -44.39 162.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -34.49 119.39 0.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.5 p-10 -174.44 117.49 0.21 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.544 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.1 m95 -103.83 147.6 27.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.0 p -138.9 128.25 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' OE2' ' CG ' ' A' ' 13' ' ' TYR . 27.0 tt0 -72.09 105.96 4.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.1 mmt-85 -122.83 132.26 54.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.475 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 54.6 t-105 -61.57 134.4 56.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 16.1 m-85 -119.04 134.31 55.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.566 HG13 ' CG2' ' A' ' 8' ' ' VAL . 87.1 t -118.22 95.81 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.4 tp -72.67 106.67 4.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.1 mmtp -90.51 163.5 30.48 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.565 0.698 . . . . 0.0 110.916 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.73 -26.38 27.8 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.746 2.298 . . . . 0.0 112.357 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -135.03 27.2 3.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.632 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.6 tt 179.76 179.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.484 HD11 HG23 ' A' ' 98' ' ' ILE . 50.2 mt -149.32 104.96 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.144 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 m -114.58 137.7 51.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 19.4 p90 -120.76 124.33 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 51.8 m-85 -100.07 161.36 13.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.6 t -50.73 -43.4 24.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 m -138.27 -175.27 4.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.71 35.5 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -103.05 -31.2 10.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt 66.77 45.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -119.31 -42.68 2.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.77 92.14 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.458 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 21.0 ttmt -70.0 155.34 40.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -113.25 -37.0 4.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.77 -175.47 45.85 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -142.41 139.44 31.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.753 0.311 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.811 HD11 ' CD2' ' A' ' 81' ' ' PHE . 64.9 mt -113.08 89.41 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.142 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 mt -49.88 111.25 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 35' ' ' ILE . 58.3 mt -75.75 128.69 35.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 55' ' ' GLU . 5.8 m-20 -144.14 143.49 31.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' ASP . 13.8 pt-20 -34.58 -36.73 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.4 m-80 -61.95 -54.96 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 62.0 m -51.79 152.07 3.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.55 ' O ' HG13 ' A' ' 74' ' ' VAL . 30.8 p -161.89 165.21 27.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.557 HG13 HG23 ' A' ' 95' ' ' ILE . 7.4 p -121.3 144.99 28.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -132.45 165.61 23.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.4 t -107.16 117.54 34.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 73' ' ' LEU . 61.0 mt -101.64 141.31 22.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.618 0.723 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -167.89 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.712 2.275 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -86.87 123.72 32.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.664 ' HE3' HD13 ' A' ' 71' ' ' LEU . 10.4 ptpt -120.62 -52.52 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.406 ' N ' ' CG ' ' A' ' 65' ' ' LYS . 7.8 m-20 -106.34 73.96 1.0 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 37.69 48.04 1.78 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.4 mmtm -125.55 -179.05 4.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.886 0.374 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.15 144.18 25.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.7 m 61.16 54.79 3.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.664 HD13 ' HE3' ' A' ' 65' ' ' LYS . 5.9 mt -88.65 143.98 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 28.7 p90 -150.21 130.98 14.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.537 ' HB3' HD11 ' A' ' 62' ' ' LEU . 4.7 tt -119.68 152.73 36.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.888 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.55 HG13 ' O ' ' A' ' 58' ' ' CYS . 98.4 t -111.86 128.4 68.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.6 mttt -105.43 122.7 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -116.79 176.53 5.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.493 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.4 m-85 -29.84 -70.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -126.17 -27.67 3.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 ptpt -85.97 159.0 19.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 19.8 p -138.9 153.91 48.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.811 ' CD2' HD11 ' A' ' 51' ' ' ILE . 29.1 m-85 -140.5 114.96 9.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -101.42 122.72 44.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.569 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 10.7 mt -129.41 141.76 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 46.5 t -108.69 128.96 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.432 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -85.39 159.0 20.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 75.5 p -84.07 -49.87 8.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -133.85 166.33 22.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 -41.95 63.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -51.15 -59.93 3.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.9 mptm? -59.39 -61.4 2.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.472 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 4.1 tmtt? -34.93 -55.92 0.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 94' ' ' TRP . 4.2 tp60 -69.32 -65.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -40.58 -26.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.452 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 32.6 m95 -80.42 -58.28 3.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.557 HG23 HG13 ' A' ' 59' ' ' VAL . 45.5 mt -55.08 -43.26 69.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -62.88 -39.92 95.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.955 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.12 -50.91 51.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.484 HG23 HD11 ' A' ' 36' ' ' ILE . 28.2 mt -60.21 -54.79 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -47.87 -54.67 11.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.798 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.5 m -57.92 -45.92 85.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.421 HG23 ' O ' ' A' ' 33' ' ' PRO . 72.3 m -50.21 -41.7 50.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.136 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.7 mt -71.77 -44.31 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.125 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -47.44 -40.07 17.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.796 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 39.3 mt -59.25 -30.81 68.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.463 HD13 ' O ' ' A' ' 53' ' ' LEU . 58.4 mt -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -61.38 -45.69 93.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -43.04 -47.71 5.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -178.7 -108.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m 53.84 41.84 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.9 t -138.22 165.26 27.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -123.37 -169.77 13.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.444 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 87.74 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.315 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.8 t -113.94 42.3 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 28.0 p -166.41 125.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.448 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.442 -0.263 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -53.89 156.14 3.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.894 0.378 . . . . 0.0 110.854 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 m -101.42 -46.8 4.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.872 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.63 -150.84 21.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 t -83.72 79.41 9.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.369 . . . . 0.0 110.828 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -109.81 149.28 30.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.827 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.18 -90.85 1.0 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 99.0 t -38.6 102.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.819 0.342 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.784 HD11 ' HA ' ' A' ' 33' ' ' PRO . 12.4 mt -79.17 -54.09 6.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.3 tttp -129.25 157.88 40.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.56 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 9.1 pt20 -158.31 124.87 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.94 159.3 32.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -81.83 108.24 15.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.933 0.396 . . . . 0.0 110.958 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.486 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 40.7 mtm -118.68 157.85 26.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.453 ' HE2' ' N ' ' A' ' 25' ' ' THR . 15.6 mtp -103.38 112.9 26.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 17' ' ' LYS . 30.7 tttm -95.01 146.45 24.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 18' ' ' GLY . 26.8 tttt -90.62 114.0 26.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.851 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 17' ' ' LYS . . . -34.56 141.79 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -68.86 -46.8 67.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.01 -46.83 10.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -105.74 158.71 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -92.36 46.91 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -102.32 138.66 38.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.414 ' CZ2' ' HE3' ' A' ' 17' ' ' LYS . 94.4 m95 -98.55 141.16 31.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.453 ' N ' ' HE2' ' A' ' 15' ' ' MET . 41.0 p -150.69 135.77 17.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -69.12 128.5 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.4 mmt85 -146.26 129.54 16.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.576 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 55.2 t-105 -64.77 115.18 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -98.32 137.66 36.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 75.0 t -120.37 100.57 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' A' ' 9' ' ' LEU . 17.3 tp -76.59 94.92 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.642 ' CB ' HG22 ' A' ' 35' ' ' ILE . 17.2 mmtp -77.08 162.98 67.86 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.628 0.727 . . . . 0.0 110.879 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.784 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.7 Cg_endo -69.73 -26.02 28.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.71 2.273 . . . . 0.0 112.331 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -134.94 26.92 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.644 ' N ' HD12 ' A' ' 53' ' ' LEU . 2.5 tt 179.87 179.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG13 HD11 ' A' ' 53' ' ' LEU . 40.2 mt -148.84 105.02 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.8 m -118.25 146.73 44.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -118.64 129.6 55.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -106.02 153.12 22.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.936 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 92.5 t -42.48 -57.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.1 m -126.21 -174.76 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.576 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 10.7 pt-20 -83.49 35.58 0.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -104.94 -31.58 9.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.828 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.9 mt 69.39 39.12 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -106.53 -41.43 5.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -116.45 112.5 21.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -82.46 154.88 24.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -112.97 -41.63 3.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.88 -166.94 25.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -155.31 139.18 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.833 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.698 HD11 ' CD2' ' A' ' 81' ' ' PHE . 53.8 mt -116.97 96.84 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD23 HD11 ' A' ' 35' ' ' ILE . 26.7 mt -54.74 113.48 1.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.644 HD12 ' N ' ' A' ' 35' ' ' ILE . 51.0 mt -78.42 140.75 38.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' GLU . 66.0 m-20 -161.32 148.43 14.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 56' ' ' ASN . 3.8 pt-20 -37.38 -33.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 3.4 m-80 -63.62 -57.63 9.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.415 ' O ' HD13 ' A' ' 102' ' ' ILE . 96.9 m -50.03 143.04 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.522 ' O ' HG13 ' A' ' 74' ' ' VAL . 12.1 p -155.23 173.38 16.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG21 HG12 ' A' ' 95' ' ' ILE . 8.2 p -121.56 150.75 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -141.86 142.6 33.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 58.2 p -81.34 120.64 25.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 73' ' ' LEU . 36.3 mt -98.52 149.36 35.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 0.0 110.93 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 179.92 3.37 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.69 123.91 34.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.662 ' HD3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -142.25 151.87 42.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 t0 57.18 45.48 20.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 55.28 51.03 57.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -121.25 -177.19 3.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.874 0.369 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 pmtp? -164.01 149.26 10.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.873 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 2.8 m 55.46 51.6 12.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.925 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.662 HD13 ' HD3' ' A' ' 65' ' ' LYS . 3.9 mt -88.39 156.71 19.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.554 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -164.31 136.62 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.685 HD12 ' HB2' ' A' ' 82' ' ' GLU . 8.0 tt -123.38 151.5 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.938 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 58' ' ' CYS . 87.5 t -112.2 128.62 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -105.4 123.88 48.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.478 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -117.27 176.64 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.35 -71.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -125.36 -27.14 3.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.2 mtmm -85.65 157.49 20.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.469 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 38.1 p -135.01 155.68 50.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.698 ' CD2' HD11 ' A' ' 51' ' ' ILE . 31.3 m-85 -146.94 108.61 4.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.843 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.685 ' HB2' HD12 ' A' ' 73' ' ' LEU . 70.3 tt0 -99.82 129.7 45.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.554 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.5 mt -131.2 157.65 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.142 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.49 ' N ' HG22 ' A' ' 83' ' ' ILE . 10.6 p -130.19 119.97 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.44 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -78.43 -179.0 6.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.134 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.3 t -112.73 -47.07 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.35 147.61 46.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -43.9 -40.73 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -53.77 -59.71 4.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 68.7 mttt -56.35 -61.68 2.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 5.0 tmtt? -37.89 -62.24 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -62.37 -65.24 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.935 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' HE2' ' A' ' 10' ' ' LYS . 6.7 mm-40 -37.8 -33.69 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 32.4 m95 -77.68 -58.28 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.476 HD11 ' CB ' ' A' ' 72' ' ' PHE . 21.8 mt -52.12 -47.37 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -58.14 -52.89 63.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.32 -59.21 5.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 18.0 mt -50.52 -47.25 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -55.4 -46.73 76.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.2 m -65.63 -46.1 80.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.839 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.3 m -50.79 -45.14 59.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 57' ' ' CYS . 60.7 mt -66.17 -43.94 91.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -49.01 -40.26 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 36.9 mt -58.45 -31.73 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 43.1 mt -78.09 -27.89 48.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 72.9 mttt -62.11 -41.03 97.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -50.06 -51.68 40.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 109' ' ' SER . . . -39.22 -76.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 108' ' ' GLY . 64.9 p -35.39 119.9 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.898 0.38 . . . . 0.0 110.839 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.6 m -72.7 97.09 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -175.52 122.44 0.87 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.541 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 86.87 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 27.6 t -120.93 92.59 3.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.2 p -58.76 -30.66 67.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.507 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.5 m -130.34 103.48 6.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.818 0.342 . . . . 0.0 110.85 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.0 p -45.56 -21.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.72 110.19 3.04 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.9 t -41.36 -54.72 2.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.919 0.39 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.7 m -51.83 175.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 156.32 -76.34 0.21 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.459 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.651 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.5 p -33.48 127.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.584 HD11 ' HA ' ' A' ' 33' ' ' PRO . 7.4 mt -78.57 -53.63 7.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 tttp -127.36 156.45 41.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.7 132.11 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.66 179.66 40.41 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.458 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 10.7 m-85 -104.01 105.39 15.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.904 0.383 . . . . 0.0 110.933 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.673 ' HE1' ' CB ' ' A' ' 29' ' ' PHE . 3.2 mpp? -115.23 168.32 10.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 49.2 mtp -107.53 110.94 22.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -98.02 129.96 44.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.519 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 19.3 tttm -68.27 104.07 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.01 -73.51 1.12 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 51.8 m170 -62.13 142.79 57.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.807 0.337 . . . . 0.0 110.806 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.8 mtm-85 -63.37 -39.64 95.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.1 ttp180 -62.62 -66.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.3 pttt -174.52 129.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -174.99 155.31 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.519 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 96.9 m95 -155.59 120.21 4.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -129.68 137.23 50.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 36.7 tt0 -74.0 99.63 3.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.457 ' NE ' ' HA ' ' A' ' 40' ' ' VAL . 0.0 OUTLIER -112.81 145.49 40.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CD1' ' HA ' ' A' ' 42' ' ' GLU . 46.7 t-105 -77.17 127.89 33.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.673 ' CB ' ' HE1' ' A' ' 14' ' ' MET . 16.3 m-85 -113.13 147.3 37.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.651 HG13 ' CG2' ' A' ' 8' ' ' VAL . 98.7 t -130.94 99.74 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' HG ' HD12 ' A' ' 9' ' ' LEU . 11.3 tp -75.75 90.45 2.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.632 ' CB ' HG22 ' A' ' 35' ' ' ILE . 42.7 mmtt -72.24 163.03 70.53 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.584 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.8 Cg_endo -69.74 -25.77 28.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.68 2.253 . . . . 0.0 112.342 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -134.94 26.47 3.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.632 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.98 178.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.578 HG13 HD11 ' A' ' 53' ' ' LEU . 56.3 mt -149.1 104.96 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 70.3 m -116.48 158.95 22.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.449 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 8.7 p90 -131.74 129.51 40.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 88.4 m-85 -104.78 158.33 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.908 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.457 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 85.2 t -54.49 -45.42 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 78.4 p -126.87 179.51 5.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.551 ' HA ' ' CD1' ' A' ' 28' ' ' TRP . 17.3 pt-20 -84.05 34.49 0.51 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -107.39 -31.29 8.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 30' ' ' VAL . 16.1 mt 72.39 42.05 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.2 mmtt -109.04 -42.11 4.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -115.04 98.32 6.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 25.2 ttpp -77.25 153.24 34.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.4 mmmt -108.64 -42.0 4.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.899 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.418 ' C ' ' HZ2' ' A' ' 47' ' ' LYS . . . -166.05 171.79 41.24 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -132.79 138.14 47.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.538 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 20.6 mt -111.46 93.71 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.439 HD23 HD11 ' A' ' 35' ' ' ILE . 38.7 mt -50.26 108.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 HD11 HG13 ' A' ' 36' ' ' ILE . 14.3 mt -77.81 135.27 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 55' ' ' GLU . 41.3 t0 -169.42 157.22 7.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.479 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 13.7 pt-20 -33.39 -52.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.604 ' ND2' ' CZ ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -48.63 -53.4 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.598 ' O ' HD13 ' A' ' 102' ' ' ILE . 35.8 m -62.09 131.96 51.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.445 ' HA ' HD13 ' A' ' 102' ' ' ILE . 32.1 p -151.7 153.34 34.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.6 p -103.61 146.08 11.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -141.82 135.4 29.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 m -68.99 143.01 54.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.88 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.636 HD11 ' CB ' ' A' ' 73' ' ' LEU . 65.7 mt -117.4 156.06 49.44 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.65 0.738 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -176.72 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.77 119.21 33.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.511 ' HD2' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -140.12 150.19 43.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 22.7 t70 60.94 42.75 12.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 54.36 52.8 42.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -127.35 173.5 9.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -149.94 153.79 37.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 66.3 m 52.84 54.6 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.511 HD13 ' HD2' ' A' ' 65' ' ' LYS . 3.1 mt -90.32 151.86 21.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.5 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 29.4 p90 -156.83 142.68 17.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.636 ' CB ' HD11 ' A' ' 62' ' ' LEU . 3.9 tt -131.05 155.09 47.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 67.3 t -113.74 130.75 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -108.76 124.0 49.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.484 ' O ' ' C ' ' A' ' 77' ' ' PHE . 14.4 m -119.34 176.69 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.604 ' CZ ' ' ND2' ' A' ' 56' ' ' ASN . 5.6 m-85 -30.21 -73.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -122.52 -29.78 4.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.5 mtmt -82.29 155.29 24.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.1 p -140.12 148.32 41.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.538 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 15.7 m-85 -135.9 124.49 23.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -108.52 124.97 51.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.5 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.5 mt -130.9 148.37 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -117.54 133.36 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.43 175.1 6.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.1 t -100.79 -56.97 2.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -124.72 155.44 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -44.73 -38.0 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -52.94 -60.25 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -59.9 -54.67 43.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -45.98 -61.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.889 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -57.73 -64.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.0 mm-40 -37.9 -52.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -57.74 -62.82 1.53 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 10.4 mt -46.85 -55.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -52.35 -39.47 60.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.16 -57.62 5.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 66.1 mt -55.24 -54.37 25.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -51.15 -56.3 13.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.6 m -55.24 -48.24 74.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 90.1 m -50.35 -40.46 49.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.598 HD13 ' O ' ' A' ' 57' ' ' CYS . 45.0 mt -69.98 -50.2 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.124 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.473 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.5 t60 -42.17 -49.34 4.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 54.1 mt -49.16 -37.46 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 54' ' ' ASP . 16.1 mt -73.34 -33.6 65.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.479 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 68.5 mttt -57.96 -38.91 76.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -47.54 -48.71 27.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 84.91 166.82 42.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.523 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.5 t -50.08 122.5 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.36 . . . . 0.0 110.878 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.0 t -149.96 113.08 4.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 160.73 83.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.08 39.58 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.721 2.281 . . . . 0.0 112.341 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 31.5 m -90.38 108.71 19.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.841 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.3 p -172.99 118.09 0.32 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.525 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -120.16 176.39 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -108.84 166.38 10.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.1 119.19 2.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p -151.82 175.79 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.845 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.6 t -116.95 139.85 50.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 133.81 -134.57 7.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.442 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.605 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.7 p -34.04 124.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 111.149 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.31 -48.98 9.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.512 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 33.3 tttm -125.44 155.78 39.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -158.44 134.21 8.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 178.86 154.26 12.63 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.476 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.608 ' CD1' ' CD ' ' A' ' 26' ' ' GLU . 12.8 m-85 -69.12 101.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.981 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.596 ' HE2' ' CH2' ' A' ' 94' ' ' TRP . 60.9 mtm -110.53 146.28 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 67.1 mtp -93.03 111.84 23.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' O ' ' C ' ' A' ' 17' ' ' LYS . 12.8 tttm -99.34 120.15 39.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.582 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 8.3 tptp -33.94 132.62 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.848 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.78 143.6 42.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.557 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.48 105.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.844 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 61.68 38.08 15.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -144.8 147.44 32.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -87.24 42.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -134.75 173.63 11.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' A' ' 17' ' ' LYS . 70.1 m95 -129.63 158.8 38.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.927 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.8 p -153.83 133.9 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' CD ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -67.34 144.75 55.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mtt85 -162.95 137.84 6.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.52 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 34.7 t-105 -66.13 122.84 18.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -114.16 120.17 39.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.605 HG13 ' CG2' ' A' ' 8' ' ' VAL . 94.7 t -104.68 102.11 13.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 HD12 HG12 ' A' ' 36' ' ' ILE . 18.2 tp -81.15 99.89 8.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.595 ' CB ' HG22 ' A' ' 35' ' ' ILE . 31.8 mmtt -81.51 163.22 55.37 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.561 0.696 . . . . 0.0 110.944 179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.2 Cg_endo -69.71 -23.88 30.54 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.73 2.287 . . . . 0.0 112.379 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -134.74 23.41 3.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.595 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -178.93 178.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.456 HG12 HD12 ' A' ' 31' ' ' LEU . 84.8 mt -148.51 104.96 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.6 m -114.64 141.55 47.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.857 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.477 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 7.4 p90 -120.53 125.55 48.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 64.1 m-85 -103.43 122.37 44.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' CG2' ' HB2' ' A' ' 46' ' ' ASP . 0.7 OUTLIER -32.95 -34.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.13 179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 61.8 p -118.52 171.91 7.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.818 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 11.9 pt-20 -96.58 30.65 2.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -113.87 -7.34 13.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.0 mt 63.0 34.61 13.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -99.75 -45.23 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.491 ' HB2' ' CG2' ' A' ' 40' ' ' VAL . 3.4 m-20 -107.88 119.27 38.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.1 ttpt -102.84 146.67 27.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.477 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 2.8 mmmp? -104.23 -45.04 4.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' C ' ' OD1' ' A' ' 50' ' ' ASP . . . -174.67 -177.61 43.93 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.483 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 2.5 m-20 -136.95 130.03 30.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.79 0.329 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 26.1 mt -96.62 95.68 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 mt -56.73 104.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 35' ' ' ILE . 71.4 mt -71.11 139.01 50.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' C ' ' A' ' 55' ' ' GLU . 36.4 t70 -158.0 150.02 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.0 pt-20 -33.65 -45.87 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -55.22 -55.22 33.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 58.5 m -52.04 140.9 19.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 26.6 p -155.03 169.65 23.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.539 ' CG1' HG23 ' A' ' 95' ' ' ILE . 11.3 p -119.58 140.5 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -132.96 134.81 45.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.8 m -78.42 135.34 37.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.541 HD11 ' CB ' ' A' ' 73' ' ' LEU . 62.0 mt -109.75 149.52 40.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.608 0.718 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -172.03 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.242 . . . . 0.0 112.325 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -85.09 121.39 27.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -138.12 147.6 44.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.9 t70 52.32 37.79 23.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.52 44.35 90.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.661 ' CB ' HD11 ' A' ' 71' ' ' LEU . 43.7 mmtt -114.55 172.47 7.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.849 0.357 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -156.91 145.16 19.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.908 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m 57.66 45.38 19.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.661 HD11 ' CB ' ' A' ' 68' ' ' LYS . 16.8 mt -85.73 160.54 19.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.513 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 36.1 p90 -162.05 133.65 5.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.541 ' CB ' HD11 ' A' ' 62' ' ' LEU . 5.0 tt -122.44 142.88 50.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.952 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -105.06 128.46 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.8 ttmt -108.97 132.77 53.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.479 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.55 176.65 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.856 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.479 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.2 m-85 -30.69 -71.21 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -123.9 -28.98 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.447 ' HE3' ' N ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -82.78 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.404 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 14.6 p -134.17 152.84 52.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.11 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 39.5 m-85 -144.44 122.29 11.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -106.99 122.06 45.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 15.3 mt -126.48 147.99 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 47.7 t -115.4 129.01 56.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.26 155.06 21.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.2 m -84.25 -53.62 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.422 ' OD2' ' CB ' ' A' ' 89' ' ' LYS . 0.4 OUTLIER -128.49 153.33 47.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -43.05 -39.99 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' CB ' ' OD2' ' A' ' 87' ' ' ASP . 51.5 tttm -54.53 -59.0 5.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -58.86 -52.29 66.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.52 -55.89 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 93' ' ' GLU . 3.7 tp-100 -64.57 -66.97 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 92' ' ' GLN . 16.5 mt-10 -36.99 -45.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CH2' ' HE2' ' A' ' 14' ' ' MET . 39.1 m95 -62.14 -64.85 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.539 HG23 ' CG1' ' A' ' 59' ' ' VAL . 18.5 mt -48.52 -51.88 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -55.42 -45.66 76.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.7 -55.76 29.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.41 HG12 HD13 ' A' ' 31' ' ' LEU . 22.2 mt -57.06 -52.63 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.146 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -50.01 -52.25 35.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 t -59.91 -50.3 74.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.514 HG23 ' O ' ' A' ' 33' ' ' PRO . 33.6 m -47.68 -36.59 11.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 37.8 mt -75.77 -46.96 34.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.427 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.9 t60 -46.11 -42.73 14.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 25.8 mt -55.89 -33.23 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.5 mt -76.01 -34.84 59.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -56.52 -39.6 73.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.856 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -44.07 -50.34 8.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 100.13 40.44 3.05 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.461 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.4 t -97.24 167.34 11.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.7 m 59.95 41.68 17.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.08 -147.83 4.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 158.44 56.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.4 m -69.27 102.32 1.69 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.5 t -55.77 162.99 1.53 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -112.75 41.96 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.828 0.346 . . . . 0.0 110.877 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -142.84 137.19 29.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.86 46.26 0.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.7 p -146.22 139.74 26.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.86 0.362 . . . . 0.0 110.889 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -117.15 112.14 20.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 127.71 -170.6 19.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.633 ' CG2' HG13 ' A' ' 30' ' ' VAL . 2.1 p -34.73 125.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.876 0.369 . . . . 0.0 111.09 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.0 mt -87.03 -50.14 6.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.523 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 30.0 tttp -121.35 156.74 31.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -158.61 131.51 7.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.528 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 177.84 161.54 26.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.46 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 3.9 m-85 -76.78 121.09 22.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.852 0.358 . . . . 0.0 110.956 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 68.8 mtm -129.89 148.98 51.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 51.3 mtp -94.86 121.36 36.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -108.66 133.48 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.3 tttm -67.24 120.66 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -48.4 166.35 0.2 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' ARG . 5.5 p80 -49.76 107.69 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' HIS . 27.6 mmm-85 36.03 42.92 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -153.03 137.14 16.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -68.3 78.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -135.0 61.17 1.68 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 84' ' ' SER . 77.6 m95 -61.86 129.95 43.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 p -142.04 137.59 31.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.143 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 19.5 tt0 -66.73 118.23 9.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.4 mmp_? -139.32 130.56 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 29.8 t-105 -59.22 140.04 56.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.3 m-85 -128.29 133.84 48.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.633 HG13 ' CG2' ' A' ' 8' ' ' VAL . 92.0 t -116.09 92.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 31' ' ' LEU . 16.2 tp -71.07 92.82 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.654 ' CB ' HG22 ' A' ' 35' ' ' ILE . 21.2 mmtt -76.96 162.9 68.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.623 0.725 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.538 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.77 -26.37 27.61 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 2.252 . . . . 0.0 112.299 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -135.01 27.26 3.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.654 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.5 tt -179.97 179.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.66 HG13 HD11 ' A' ' 53' ' ' LEU . 48.9 mt -149.07 105.0 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.089 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.6 p -114.51 140.83 48.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.424 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 7.2 p90 -121.87 129.8 52.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 41' ' ' SER . 49.9 m-85 -106.73 126.58 52.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.471 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -36.23 -29.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.147 179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.504 ' N ' ' O ' ' A' ' 39' ' ' TYR . 21.8 p -129.08 167.22 17.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.508 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 22.5 pt-20 -88.68 33.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.86 -19.54 14.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.5 mt 66.2 40.21 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -122.64 -38.64 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 7.3 t0 -104.09 102.42 12.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -93.32 145.24 24.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 mmtm -104.82 -42.35 5.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -165.84 -169.81 29.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -147.95 141.02 24.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.572 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 28.0 mt -114.01 94.16 2.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.435 HD23 HD11 ' A' ' 35' ' ' ILE . 24.3 mt -53.43 108.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.66 HD11 HG13 ' A' ' 36' ' ' ILE . 36.7 mt -77.91 131.17 37.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 11.9 m-20 -156.11 154.57 31.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 14.2 pt-20 -33.83 -46.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -52.27 -53.95 37.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 67.7 m -57.74 149.08 22.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.1 p -162.13 163.83 28.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.6 p -111.6 143.98 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.127 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -128.37 167.48 16.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 90.0 p -106.26 106.64 17.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.703 HD11 ' HB2' ' A' ' 73' ' ' LEU . 63.3 mt -75.89 154.67 84.99 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.613 0.721 . . . . 0.0 110.936 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.16 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.635 2.224 . . . . 0.0 112.344 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -99.65 103.34 15.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 154.09 44.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' OD2' ' NE1' ' A' ' 24' ' ' TRP . 26.9 t0 67.51 40.72 2.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 57.98 50.19 68.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -124.58 171.78 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -134.03 -45.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.9 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -115.9 87.89 2.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.8 mt -109.52 152.04 25.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.517 ' HB3' HD11 ' A' ' 95' ' ' ILE . 43.1 p90 -159.35 133.75 7.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.703 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -122.34 148.72 44.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.3 t -108.38 128.17 64.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 21.2 mtpt -104.12 126.28 51.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.483 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -120.29 176.65 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.483 ' C ' ' O ' ' A' ' 76' ' ' CYS . 14.9 m-85 -29.82 -72.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -125.03 -26.87 3.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 21.5 mtmt -83.68 150.29 25.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 20.7 p -132.93 150.41 52.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.572 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 38.9 m-85 -139.58 120.95 14.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.465 ' OE2' HD13 ' A' ' 62' ' ' LEU . 33.7 tt0 -105.24 117.47 34.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 84' ' ' SER . 15.7 mt -120.77 154.36 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.106 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 45.4 t -124.61 129.68 51.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.33 140.36 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.2 t -72.86 -58.04 3.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.93 155.62 26.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -49.17 -42.51 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -47.99 -60.31 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -56.11 -53.6 55.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.78 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 93' ' ' GLU . 16.9 tt0 -54.75 -67.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.972 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 92' ' ' GLN . 35.2 mm-40 -37.28 -57.71 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.523 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 39.6 m95 -51.84 -67.86 0.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 72' ' ' PHE . 7.2 mt -43.58 -55.51 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.163 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -53.62 -46.31 70.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.84 -57.41 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 14.3 mt -55.88 -55.21 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -48.56 -54.98 12.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 44.6 m -58.43 -49.74 76.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.6 m -46.55 -43.64 17.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 21.9 mt -67.63 -43.95 86.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.166 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -45.38 -44.68 12.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.9 mt -54.49 -36.15 63.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 27.6 mt -76.74 -29.15 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -60.94 -39.43 89.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 107' ' ' LEU . 3.4 mm? -49.86 -47.21 51.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -91.2 89.4 1.46 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.1 p -116.26 142.02 47.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.3 t -76.04 127.11 32.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 178.41 84.23 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 113' ' ' SER . 53.9 Cg_endo -69.74 -173.92 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.733 2.289 . . . . 0.0 112.321 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 112' ' ' PRO . 54.9 p 37.75 42.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 p -76.41 177.61 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.9 p -135.3 122.31 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.6 m -97.87 -58.18 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.38 100.92 2.68 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -76.18 -63.38 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.845 0.355 . . . . 0.0 110.865 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -124.7 114.1 18.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 143.58 143.85 4.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.583 ' CG2' HG13 ' A' ' 30' ' ' VAL . 3.7 p -33.34 132.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.36 . . . . 0.0 111.168 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.6 mt -89.03 -43.62 10.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 24.3 tttm -129.43 156.23 44.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 2.3 pt20 -158.38 132.56 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -177.88 173.48 46.05 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -88.14 117.02 26.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.906 0.384 . . . . 0.0 110.887 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.438 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 65.7 mtm -127.95 147.2 50.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.883 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.0 mtp -92.67 110.05 21.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.14 137.7 33.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.543 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 16.9 tttp -80.81 96.42 6.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.29 169.12 24.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -83.2 47.03 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.796 0.332 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -134.32 174.38 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 22' ' ' LYS . 72.8 ttt180 -38.49 143.44 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' ARG . 18.7 mtpp -36.32 113.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -174.74 163.66 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.543 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 97.7 m95 -131.93 143.91 50.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 44.6 m -136.21 132.45 35.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.13 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -75.8 125.87 29.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -141.07 163.7 32.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.471 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 50.2 t-105 -89.07 133.47 34.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -121.58 127.07 50.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.583 HG13 ' CG2' ' A' ' 8' ' ' VAL . 98.6 t -110.95 95.43 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 10.0 tp -70.09 120.1 15.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.631 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.3 mmtp -104.65 162.49 19.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.617 0.723 . . . . 0.0 110.906 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.533 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.6 Cg_endo -69.82 -26.81 26.93 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.347 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -132.17 25.05 4.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.701 HD11 HD23 ' A' ' 52' ' ' LEU . 2.4 tt -179.45 179.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.593 HG13 HD11 ' A' ' 53' ' ' LEU . 44.2 mt -147.59 105.05 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.7 t -98.58 167.27 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.847 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.499 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 24.5 p90 -153.81 118.39 4.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 12.5 m-85 -107.42 152.91 23.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.7 t -49.58 -43.45 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.61 179.3 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.9 pt-20 -84.65 33.46 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.2 -23.05 12.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 15.2 mt 62.8 42.96 7.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.954 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 mmpt? -111.19 -46.41 3.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.52 87.86 2.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -75.49 136.58 40.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.499 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 30.2 mmtt -89.43 -47.4 8.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.71 -151.04 7.13 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -160.12 137.54 9.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.678 HD11 ' CD2' ' A' ' 81' ' ' PHE . 24.0 mt -107.45 94.98 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD23 HD11 ' A' ' 35' ' ' ILE . 26.2 mt -57.22 112.33 1.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.925 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD11 HG13 ' A' ' 36' ' ' ILE . 33.9 mt -79.47 138.25 37.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 56' ' ' ASN . 29.0 t70 -159.83 148.42 17.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.838 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 3.1 pt-20 -34.37 -35.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.467 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 4.6 m-80 -63.92 -56.98 11.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 87.4 m -54.65 148.25 12.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.86 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 27.8 p -162.34 157.16 22.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.538 ' CG1' HG23 ' A' ' 95' ' ' ILE . 10.6 p -107.02 147.27 12.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.167 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -132.56 155.82 47.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 26.7 p -97.4 131.99 43.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.822 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.55 HD11 ' CB ' ' A' ' 73' ' ' LEU . 48.5 mt -119.75 142.88 33.83 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.573 0.701 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -165.85 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.638 2.226 . . . . 0.0 112.385 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -89.56 126.73 35.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.434 ' HE3' HD13 ' A' ' 71' ' ' LEU . 11.4 ptpt -123.19 -46.72 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -110.17 58.15 0.61 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.83 36.8 92.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.482 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.508 ' HB2' HD11 ' A' ' 71' ' ' LEU . 34.8 mmtm -104.71 -176.32 3.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 3.1 mptp? -132.75 -58.14 0.92 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 3.3 m -115.47 86.97 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.508 HD11 ' HB2' ' A' ' 68' ' ' LYS . 7.7 mt -101.46 151.72 21.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 38.2 p90 -155.49 133.79 11.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.55 ' CB ' HD11 ' A' ' 62' ' ' LEU . 6.2 tt -116.77 142.43 46.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.8 t -104.56 128.53 58.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.638 ' HD3' HG22 ' A' ' 80' ' ' THR . 2.5 mmtp -106.23 150.4 25.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.435 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -143.1 175.7 9.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.467 ' CZ ' ' CG ' ' A' ' 56' ' ' ASN . 11.0 m-85 -33.73 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -117.8 -29.87 5.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -82.3 155.68 24.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.638 HG22 ' HD3' ' A' ' 75' ' ' LYS . 8.5 p -138.91 136.5 35.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.678 ' CD2' HD11 ' A' ' 51' ' ' ILE . 3.2 m-85 -126.25 143.49 51.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -126.28 132.92 51.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.573 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 13.6 mt -136.46 148.38 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 47.8 t -120.09 149.59 41.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -119.82 156.56 30.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.4 t -95.95 -48.07 5.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -108.38 139.03 43.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -45.99 -44.6 15.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 65.2 tttt -46.64 -55.78 7.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.47 -61.97 1.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.411 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 2.6 tmtt? -43.13 -67.94 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -49.02 -67.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -39.97 -62.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.509 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 43.0 m95 -46.29 -63.29 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.538 HG23 ' CG1' ' A' ' 59' ' ' VAL . 6.8 mt -48.58 -41.08 11.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -63.5 -49.79 72.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.53 -51.53 69.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.554 HG23 HD11 ' A' ' 36' ' ' ILE . 62.7 mt -58.12 -57.76 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -48.26 -56.61 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.878 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.8 m -57.89 -46.24 85.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.5 m -52.78 -32.1 41.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.3 mt -76.69 -41.3 33.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.481 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 2.4 t60 -50.11 -41.09 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.2 mt -57.95 -31.53 66.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.914 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.4 mt -78.15 -21.16 50.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.951 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 81.2 mttt -71.02 -37.5 72.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 107' ' ' LEU . 3.3 mm? -55.23 -48.44 73.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -90.0 99.15 2.53 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 47.5 m -101.21 140.46 35.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.873 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.6 m -88.25 118.03 27.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.871 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 161.58 123.91 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 138.23 37.41 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.4 m -144.83 145.03 31.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.825 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.2 p -49.83 -45.34 50.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.843 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.6 p -71.55 131.96 44.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.839 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -127.03 -27.8 2.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.33 52.43 1.21 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.7 t -127.43 -41.21 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.794 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -89.19 45.84 1.33 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 121.17 -132.14 8.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.625 HG22 ' CG1' ' A' ' 30' ' ' VAL . 41.5 t -33.87 120.77 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.599 HD11 ' HA ' ' A' ' 33' ' ' PRO . 51.1 mt -77.48 -60.45 2.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 28.9 tttp -126.67 153.98 44.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -158.73 135.85 9.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.35 168.62 40.83 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -84.67 101.75 12.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.87 0.367 . . . . 0.0 110.969 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.526 ' HE2' ' CB ' ' A' ' 29' ' ' PHE . 53.7 mtm -110.24 162.02 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.1 mtp -109.65 110.7 21.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.6 tttp -103.85 147.86 26.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD3' ' CZ2' ' A' ' 24' ' ' TRP . 12.2 ttpp -100.64 109.73 21.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -101.37 -81.74 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.512 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -38.42 128.38 1.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 tpt85 -41.47 -47.04 3.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -61.36 144.72 53.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -56.12 100.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -162.5 123.61 2.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.421 ' CE3' ' OG ' ' A' ' 84' ' ' SER . 61.4 m95 -104.94 145.32 30.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.989 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 p -138.93 123.41 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' OE2' ' N ' ' A' ' 27' ' ' ARG . 0.2 OUTLIER -59.52 144.73 46.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' OE2' ' A' ' 26' ' ' GLU . 28.0 mtm-85 -165.1 143.56 6.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 42' ' ' GLU . 52.2 t-105 -71.11 135.98 47.96 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CB ' ' HE2' ' A' ' 14' ' ' MET . 10.6 m-85 -121.06 148.91 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.625 ' CG1' HG22 ' A' ' 8' ' ' VAL . 51.4 t -131.34 101.17 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.423 HD12 HG12 ' A' ' 36' ' ' ILE . 29.7 tp -81.26 100.83 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.936 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.574 ' CB ' HG22 ' A' ' 35' ' ' ILE . 1.4 mmpt? -87.88 161.89 42.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.559 0.695 . . . . 0.0 110.878 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.599 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.6 Cg_endo -69.77 -22.85 31.48 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.616 2.21 . . . . 0.0 112.387 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -135.04 23.92 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.574 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.3 tt 179.93 177.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.1 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.423 HG12 HD12 ' A' ' 31' ' ' LEU . 43.2 mt -150.33 104.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.157 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 19.7 m -113.74 144.79 42.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.832 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.49 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 7.2 p90 -128.26 123.17 33.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.941 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -100.56 153.06 19.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.1 t -43.41 -41.39 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.43 ' C ' ' HB2' ' A' ' 28' ' ' TRP . 3.9 m -140.55 -176.0 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 28' ' ' TRP . 14.7 pt-20 -83.75 34.17 0.49 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -104.8 -26.18 12.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.3 mt 63.61 41.84 6.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -112.67 -44.21 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -108.41 92.37 4.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -75.25 144.58 42.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.9 mmtp -98.56 -44.1 6.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -172.18 -159.75 19.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -154.12 135.42 14.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.669 HD11 ' CD2' ' A' ' 81' ' ' PHE . 69.0 mt -107.85 102.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.2 104.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 20.9 mt -70.33 139.03 51.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 55' ' ' GLU . 14.3 m-20 -161.89 146.86 13.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 54' ' ' ASP . 9.8 pt-20 -34.42 -37.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.8 m120 -58.13 -57.14 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.443 ' O ' HD13 ' A' ' 102' ' ' ILE . 99.7 m -56.86 147.77 22.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 8.5 m -160.74 159.55 30.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.505 ' CG1' HG23 ' A' ' 95' ' ' ILE . 5.4 p -107.52 141.65 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -134.09 159.23 41.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.0 p -89.97 143.83 26.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 73' ' ' LEU . 20.1 mt -115.91 151.09 46.06 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.628 0.727 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -165.12 0.15 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -96.27 126.89 41.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.69 157.48 43.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.4 t70 44.71 34.86 1.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.33 45.64 94.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.444 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.536 ' CB ' HD11 ' A' ' 71' ' ' LEU . 27.1 mmtt -117.75 158.26 25.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.72 143.74 39.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 70.0 m 62.12 49.14 4.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.536 HD11 ' CB ' ' A' ' 68' ' ' LYS . 8.9 mt -85.79 145.87 27.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.523 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 22.0 p90 -146.88 136.34 22.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.943 ' HB2' HD11 ' A' ' 62' ' ' LEU . 4.5 tt -123.82 151.3 43.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 80.8 t -108.38 128.43 63.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -104.87 117.39 33.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.506 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.65 176.7 4.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.506 ' C ' ' O ' ' A' ' 76' ' ' CYS . 9.0 m-85 -28.55 -73.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -125.24 -31.18 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 19.9 mtmt -82.1 153.66 25.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.1 p -135.18 151.39 50.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.669 ' CD2' HD11 ' A' ' 51' ' ' ILE . 24.7 m-85 -134.31 114.23 12.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -100.36 109.65 21.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.523 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.2 mt -115.24 152.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.132 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.421 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 2.5 p -125.53 133.1 52.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.28 178.12 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 5.4 t -111.91 -56.33 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -102.83 145.83 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -49.77 -44.26 48.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -53.4 -44.46 68.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.1 mttt -64.13 -59.92 3.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.914 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.28 -61.57 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 93' ' ' GLU . 47.1 tt0 -55.47 -67.3 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.955 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 92' ' ' GLN . 8.6 mm-40 -37.46 -50.93 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.45 ' CE2' ' SD ' ' A' ' 14' ' ' MET . 37.6 m95 -55.92 -58.26 8.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.505 HG23 ' CG1' ' A' ' 59' ' ' VAL . 24.7 mt -53.66 -55.2 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.5 mm100 -54.63 -44.62 73.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.2 -54.27 47.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.412 HG12 HD13 ' A' ' 31' ' ' LEU . 27.8 mt -58.18 -51.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -51.67 -52.85 44.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.1 m -59.55 -51.1 71.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.9 m -48.28 -41.41 27.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.173 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.443 HD13 ' O ' ' A' ' 57' ' ' CYS . 53.3 mt -63.63 -36.94 78.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -59.39 -39.08 82.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.76 -25.64 65.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.953 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.2 mt -80.06 -31.3 39.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.427 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 27.4 mttp -61.34 -42.14 98.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.0 mm? -43.65 -45.78 7.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 140.35 78.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 57.8 m -100.54 93.28 5.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.878 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 111' ' ' GLY . 89.3 p 41.35 42.53 1.84 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 110' ' ' SER . . . -37.74 153.68 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 -48.24 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.68 2.253 . . . . 0.0 112.409 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' SER . 91.6 p -124.95 103.8 8.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 113' ' ' SER . 12.9 p -36.27 -50.12 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.489 179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -91.67 -51.19 5.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.805 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.2 t -113.76 103.27 11.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.47 -179.35 49.21 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.473 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 p -147.25 128.5 14.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.851 0.357 . . . . 0.0 110.834 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.9 m -141.27 149.73 41.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -51.33 -67.38 2.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' GLY . 97.1 t -34.24 118.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.762 HD11 ' HA ' ' A' ' 33' ' ' PRO . 16.3 mt -89.6 -57.33 2.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.9 tttp -127.72 159.75 33.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.32 136.42 10.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -178.63 164.85 33.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -85.51 102.97 13.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.519 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 29.3 mtm -109.88 155.99 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.67 ' HE2' ' C ' ' A' ' 24' ' ' TRP . 22.4 mtp -104.47 109.77 21.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -92.23 152.47 19.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.515 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 34.4 tttt -96.95 112.52 24.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -43.2 141.16 2.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.482 ' CD2' ' H ' ' A' ' 20' ' ' ARG . 3.2 p80 -59.37 -53.26 60.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.482 ' H ' ' CD2' ' A' ' 19' ' ' HIS . 10.1 tpt180 -77.91 -63.03 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.2 ttm-85 -83.85 135.36 34.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 mtmt -81.87 44.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -99.42 166.79 11.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.67 ' C ' ' HE2' ' A' ' 15' ' ' MET . 93.5 m95 -122.92 133.55 54.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.552 ' N ' ' HE2' ' A' ' 15' ' ' MET . 8.9 t -138.34 137.52 37.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.5 tt0 -70.96 103.35 2.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.1 tpp85 -121.35 132.19 54.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 48.3 t-105 -63.78 144.03 57.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CD1' ' HB3' ' A' ' 38' ' ' TYR . 16.8 m-85 -130.26 144.39 51.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -127.6 96.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.134 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' HG ' HD12 ' A' ' 9' ' ' LEU . 23.7 tp -71.95 100.24 2.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.638 ' CB ' HG22 ' A' ' 35' ' ' ILE . 41.9 mmtt -81.3 163.48 54.59 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.548 0.69 . . . . 0.0 110.92 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.762 ' HA ' HD11 ' A' ' 9' ' ' LEU . 54.0 Cg_endo -69.76 -27.15 26.83 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.728 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 33' ' ' PRO . 1.5 m-20 -133.73 25.16 4.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.671 HD11 HD23 ' A' ' 52' ' ' LEU . 1.7 tt -178.61 -178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -148.7 104.99 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 41.9 m -113.88 145.33 41.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.584 ' HB3' ' CD1' ' A' ' 29' ' ' PHE . 9.3 p90 -124.77 140.25 53.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 47' ' ' LYS . 23.1 m-85 -117.85 156.75 27.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 62.7 t -46.67 -48.61 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -133.98 -174.93 3.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -84.18 34.83 0.52 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -107.15 -29.31 9.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 16.4 mt 67.03 45.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.44 -40.33 3.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -112.24 85.33 2.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 29.0 ttpt -63.04 150.73 41.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -108.54 -43.34 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.91 -168.12 37.58 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -148.06 145.67 28.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 38.6 mt -116.85 98.05 6.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.671 HD23 HD11 ' A' ' 35' ' ' ILE . 45.2 mt -51.96 112.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 22.3 mt -79.72 132.86 36.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 55' ' ' GLU . 0.7 OUTLIER -154.25 147.05 24.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.825 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 54' ' ' ASP . 6.2 pt-20 -34.43 -36.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 54' ' ' ASP . 2.3 m-80 -60.0 -52.64 64.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.429 ' O ' HG21 ' A' ' 102' ' ' ILE . 90.8 m -52.74 133.43 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.1 m -141.41 159.92 41.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.7 p -118.92 140.45 42.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' OE1' ' CD2' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -133.19 159.52 39.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.9 m -102.42 120.5 40.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.54 HD11 ' HB2' ' A' ' 73' ' ' LEU . 17.9 mt -93.01 150.91 40.08 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.668 0.747 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.78 0.11 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.715 2.277 . . . . 0.0 112.367 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -92.95 115.69 28.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.35 147.65 50.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 52.3 36.88 20.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.838 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.51 46.79 74.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.446 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.619 ' CB ' HD11 ' A' ' 71' ' ' LEU . 35.4 mmtt -121.14 166.32 14.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.805 0.336 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.452 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -148.51 143.35 26.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.5 m 60.17 49.67 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.619 HD11 ' CB ' ' A' ' 68' ' ' LYS . 12.2 mt -88.76 139.76 30.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.591 ' HB3' HD11 ' A' ' 95' ' ' ILE . 33.9 p90 -140.38 129.92 24.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.54 ' HB2' HD11 ' A' ' 62' ' ' LEU . 3.7 tt -115.5 142.39 46.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.5 132.9 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -116.16 144.23 44.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.9 m -132.29 176.73 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 10.6 m-85 -30.25 -70.89 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -121.83 -29.33 4.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.422 ' HB2' ' NZ ' ' A' ' 79' ' ' LYS . 1.3 mtmp? -84.28 153.31 23.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 26.9 p -139.28 149.64 44.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 22.9 m-85 -139.52 145.83 39.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.71 125.64 38.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.575 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 6.6 mt -130.86 147.07 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 15' ' ' MET . 97.8 p -116.64 132.09 56.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.847 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.06 163.48 16.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.082 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 95.4 p -88.14 -33.96 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -147.34 175.57 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -59.74 -36.93 77.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -55.52 -64.83 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -54.0 -53.26 55.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.19 -66.56 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 93' ' ' GLU . 6.1 tp60 -56.77 -64.97 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 92' ' ' GLN . 29.7 mt-10 -37.34 -51.64 1.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.479 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 29.3 m95 -61.16 -66.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.591 HD11 ' HB3' ' A' ' 72' ' ' PHE . 8.5 mt -42.06 -54.41 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -53.91 -39.26 65.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -55.16 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 16.4 mt -56.65 -45.37 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -58.49 -48.73 79.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 27.0 m -64.18 -49.1 73.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.0 m -49.71 -44.34 48.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 57' ' ' CYS . 29.1 mt -69.09 -43.05 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -48.26 -39.22 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.4 mt -60.14 -37.97 81.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.426 HD13 ' HA ' ' A' ' 54' ' ' ASP . 29.7 mt -67.18 -29.46 69.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -63.99 -45.9 86.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.404 ' HA ' HD13 ' A' ' 107' ' ' LEU . 2.3 mm? -45.68 -47.78 15.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.08 -62.58 2.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.5 m -105.99 100.94 10.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.861 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 t -91.03 111.97 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 78.63 160.53 17.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.474 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -4.01 13.15 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.647 2.232 . . . . 0.0 112.329 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 57.8 m -94.3 144.98 25.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -67.74 147.21 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.476 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 p 43.67 43.5 4.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.874 0.369 . . . . 0.0 110.881 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -81.21 147.19 30.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.72 36.14 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.521 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 p -44.39 -55.18 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.815 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -125.65 93.93 3.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.906 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . 144.04 -157.2 27.03 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.475 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' C ' ' O ' ' A' ' 7' ' ' GLY . 93.4 t -34.2 106.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.883 0.373 . . . . 0.0 111.15 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.424 HD11 ' HA ' ' A' ' 33' ' ' PRO . 41.0 mt -78.38 -57.29 3.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.506 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 12.5 tttp -127.97 156.84 42.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -158.52 136.85 10.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.94 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.85 159.65 20.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.557 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -74.43 121.58 21.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.903 0.382 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.44 ' CE ' HG21 ' A' ' 83' ' ' ILE . 67.0 mtm -131.68 148.77 52.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 44.0 mtp -92.35 114.09 26.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -102.78 128.97 49.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.509 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 39.9 tttm -74.62 114.86 13.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -40.51 155.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -45.82 -61.15 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ppt_? -125.83 39.35 3.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -131.28 127.26 37.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -81.74 46.03 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -124.59 146.41 49.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 97.5 m95 -111.89 122.59 48.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.2 m -124.39 135.2 53.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -74.6 133.88 42.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -152.69 159.3 43.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.536 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 38.6 t-105 -82.33 136.8 34.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 12.3 m-85 -125.51 127.76 46.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 8' ' ' VAL . 98.9 t -113.16 102.52 14.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.101 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.515 HD13 HG12 ' A' ' 98' ' ' ILE . 17.8 tp -79.76 100.08 7.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.603 ' CB ' HG22 ' A' ' 35' ' ' ILE . 42.2 mmtt -82.54 163.57 51.38 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.585 0.707 . . . . 0.0 110.907 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.82 -24.59 29.24 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.629 2.219 . . . . 0.0 112.365 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 24.36 3.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.603 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.02 178.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.674 HG13 HD11 ' A' ' 53' ' ' LEU . 62.3 mt -148.56 104.97 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.166 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 30' ' ' VAL . 21.3 m -112.66 132.87 54.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.542 ' HB3' ' CD2' ' A' ' 29' ' ' PHE . 3.0 p90 -116.34 116.81 28.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE2' ' HB2' ' A' ' 47' ' ' LYS . 39.9 m-85 -92.58 141.34 28.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p -51.54 -24.93 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -130.55 169.77 15.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.536 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.3 pt-20 -90.28 30.13 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -113.27 -15.19 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.426 ' HA ' ' CG ' ' A' ' 39' ' ' TYR . 23.8 mt 67.75 29.56 6.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.0 mmtp -93.79 -42.36 9.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.01 107.77 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 21.1 ttpt -87.02 130.24 34.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmtt -79.63 -43.32 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.82 -160.56 19.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.48 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -153.47 150.52 28.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.776 HD11 ' CD2' ' A' ' 81' ' ' PHE . 34.6 mt -126.02 94.67 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.477 HD23 HD11 ' A' ' 35' ' ' ILE . 37.0 mt -53.96 105.02 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.674 HD11 HG13 ' A' ' 36' ' ' ILE . 34.6 mt -76.73 133.61 39.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.51 ' O ' ' C ' ' A' ' 55' ' ' GLU . 33.2 t70 -162.94 150.65 13.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.51 ' C ' ' O ' ' A' ' 54' ' ' ASP . 15.7 pt-20 -28.91 -42.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 54' ' ' ASP . 3.9 m-80 -57.36 -55.9 28.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 54' ' ' ASP . 69.2 m -57.63 148.34 24.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.532 ' O ' HG13 ' A' ' 74' ' ' VAL . 31.5 p -161.59 165.88 27.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -112.45 138.17 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -126.95 143.57 51.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.6 p -82.51 122.0 27.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.657 HD11 ' CB ' ' A' ' 73' ' ' LEU . 91.3 mt -97.49 153.81 38.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.602 0.715 . . . . 0.0 110.932 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' O ' HD12 ' A' ' 71' ' ' LEU . 54.0 Cg_endo -69.74 -176.75 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -96.84 108.89 21.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.485 ' HD3' ' CD1' ' A' ' 71' ' ' LEU . 0.1 OUTLIER -142.42 150.65 40.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.2 t0 72.72 34.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 66.22 48.75 62.14 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.479 ' HG3' HD11 ' A' ' 71' ' ' LEU . 66.4 mmtt -115.56 176.82 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.834 0.35 . . . . 0.0 110.9 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 2.5 mptp? -130.86 -46.42 1.04 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 m -134.22 97.89 3.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.485 ' CD1' ' HD3' ' A' ' 65' ' ' LYS . 33.4 mt -106.72 168.03 9.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.533 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 14.9 p90 -175.1 133.08 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.657 ' CB ' HD11 ' A' ' 62' ' ' LEU . 2.8 tt -125.81 155.41 41.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 58' ' ' CYS . 56.7 t -111.06 128.33 67.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.0 tppp? -100.73 118.77 37.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.514 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -112.57 176.8 4.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' C ' ' O ' ' A' ' 76' ' ' CYS . 13.8 m-85 -28.39 -74.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -125.04 -24.9 3.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -87.67 155.14 20.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.439 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 64.3 p -132.47 160.83 35.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.776 ' CD2' HD11 ' A' ' 51' ' ' ILE . 32.6 m-85 -147.12 113.41 5.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.55 ' OE2' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -98.32 126.39 43.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.533 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 12.8 mt -130.29 142.93 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.157 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 45.6 t -114.21 146.44 40.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.35 147.21 40.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -75.43 -58.62 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -113.4 145.1 41.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -41.95 -42.47 2.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.33 -56.74 3.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -56.54 -59.77 4.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -42.03 -65.3 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 93' ' ' GLU . 20.8 tt0 -51.63 -70.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 92' ' ' GLN . 9.7 mm-40 -37.01 -56.82 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.506 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 40.2 m95 -50.4 -67.66 0.24 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.7 mt -44.85 -47.68 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -57.45 -44.61 84.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.73 -55.97 16.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.515 HG12 HD13 ' A' ' 31' ' ' LEU . 28.4 mt -56.04 -52.86 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -49.94 -55.43 14.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 72.9 m -57.52 -42.1 82.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 52.2 m -53.31 -42.25 66.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.9 mt -71.51 -33.88 51.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.132 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -53.56 -36.07 61.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.2 mt -71.58 -34.92 70.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' A' ' 54' ' ' ASP . 4.8 mt -62.6 -25.51 68.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.48 ' HG3' ' CB ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -76.32 -43.65 40.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.1 mm? -47.3 -38.31 12.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -163.86 100.06 0.17 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.464 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 41.5 t -55.1 141.08 35.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 -179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.6 m -94.74 94.59 8.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 162.4 -144.6 9.82 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 142.64 48.42 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.669 2.246 . . . . 0.0 112.347 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 46.1 m -68.25 147.19 52.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.802 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.9 m -80.08 -60.58 2.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.473 179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -83.51 137.46 33.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -135.98 149.74 48.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.0 47.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.477 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.8 m -94.81 170.0 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -91.05 118.15 30.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.13 -120.45 5.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.66 HG21 HG13 ' A' ' 30' ' ' VAL . 7.5 p -73.58 147.01 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.138 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.5 -49.12 5.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.44 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 11.6 tttp -129.45 152.44 48.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -156.92 134.47 10.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.64 152.01 10.36 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -66.48 106.45 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.877 0.37 . . . . 0.0 110.912 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.437 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 56.6 mtm -112.95 151.71 30.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.883 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.8 mtp -91.41 112.35 24.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' NZ ' ' CE2' ' A' ' 38' ' ' TYR . 21.2 tttt -100.62 118.58 37.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 24' ' ' TRP . 16.7 ttpp -47.97 -19.31 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 106.02 162.17 22.88 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.458 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' CG ' ' N ' ' A' ' 20' ' ' ARG . 4.2 p80 -42.42 -57.06 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 110.838 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' N ' ' CG ' ' A' ' 19' ' ' HIS . 3.8 tpp85 -134.52 -46.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -50.33 154.17 1.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' ASN . 17.1 pttp -80.39 -37.92 31.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' LYS . 18.3 t30 -37.25 116.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.514 ' CZ2' ' HB2' ' A' ' 17' ' ' LYS . 77.3 m95 -85.51 142.42 29.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -149.06 140.17 23.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.6 150.95 47.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 40.1 mtm-85 -167.38 145.59 4.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.528 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 55.7 t-105 -72.62 132.12 43.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 12.9 m-85 -117.71 139.93 50.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.66 HG13 HG21 ' A' ' 8' ' ' VAL . 53.9 t -124.87 90.27 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.134 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.527 HD13 HG12 ' A' ' 98' ' ' ILE . 9.8 tp -70.94 106.01 3.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' CB ' HG22 ' A' ' 35' ' ' ILE . 2.4 mptt -91.12 165.44 21.63 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.582 0.706 . . . . 0.0 110.888 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -25.64 28.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.316 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -134.73 25.48 3.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.59 HG22 ' CB ' ' A' ' 32' ' ' LYS . 4.7 tt -179.32 174.09 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -149.43 105.27 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 p -103.92 170.12 8.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 4.3 p90 -148.45 125.43 11.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -111.29 134.88 52.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' CG1' ' HD3' ' A' ' 48' ' ' LYS . 11.5 m -47.53 -19.64 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.14 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 t -140.66 172.44 12.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 12.4 pt-20 -90.08 27.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -104.33 -12.1 16.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.822 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.2 mt 58.02 37.78 26.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -110.46 -40.8 4.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -105.34 90.96 3.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -81.9 141.49 33.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.583 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 23.6 mmmt -103.11 -17.04 15.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 160.93 -165.21 35.13 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -152.71 140.11 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.765 0.316 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.577 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 12.9 mt -105.71 93.91 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.115 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 35' ' ' ILE . 17.9 mt -55.38 105.76 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.567 HD22 HG12 ' A' ' 102' ' ' ILE . 12.8 mt -71.21 147.36 48.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HA ' HD13 ' A' ' 105' ' ' LEU . 19.0 t70 -174.04 148.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.492 ' OE2' ' ND2' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -34.37 -39.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' ND2' ' OE2' ' A' ' 55' ' ' GLU . 8.7 m-80 -57.54 -54.53 45.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.895 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 84.9 m -60.14 155.14 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 18.1 p -166.43 156.78 12.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -103.6 147.89 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -137.27 149.62 47.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 m -97.18 126.3 42.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.532 HD11 ' HB3' ' A' ' 73' ' ' LEU . 19.3 mt -109.86 146.44 34.1 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -168.94 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.688 2.259 . . . . 0.0 112.336 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -68.12 110.82 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.448 ' HB3' HD13 ' A' ' 71' ' ' LEU . 14.4 ttmm -109.33 141.5 41.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 65' ' ' LYS . 16.3 t70 34.66 46.34 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 71.49 55.98 7.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.654 ' CB ' HD11 ' A' ' 71' ' ' LEU . 15.2 mmtp -130.0 174.1 10.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -147.65 152.51 37.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.5 m 46.04 53.57 9.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.654 HD11 ' CB ' ' A' ' 68' ' ' LYS . 2.8 mt -86.84 166.14 15.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 28.5 p90 -167.66 134.99 2.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.532 ' HB3' HD11 ' A' ' 62' ' ' LEU . 4.2 tt -127.94 147.29 50.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.9 t -109.35 128.46 65.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -104.14 122.47 45.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.499 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -113.93 176.86 4.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.499 ' C ' ' O ' ' A' ' 76' ' ' CYS . 12.5 m-85 -28.48 -72.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -125.31 -28.34 3.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -84.36 152.71 23.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.414 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 31.9 p -131.07 159.37 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.577 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 28.9 m-85 -145.03 122.05 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' CD ' ' HE3' ' A' ' 17' ' ' LYS . 7.8 tt0 -110.64 120.31 41.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.823 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 11.4 mt -126.31 151.43 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.111 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.9 t -122.61 131.59 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -92.29 158.56 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.077 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -81.97 -59.03 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -118.37 167.12 11.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.845 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -55.23 -32.41 62.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.52 -60.24 3.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 91' ' ' LYS . 1.6 mptm? -54.59 -61.63 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 90' ' ' LYS . 7.4 tmtt? -36.39 -64.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' TRP . 2.2 tp60 -62.36 -65.9 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 92' ' ' GLN . 32.3 mm-40 -37.66 -31.97 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.44 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 34.5 m95 -79.77 -65.75 0.96 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.419 HD11 ' CB ' ' A' ' 72' ' ' PHE . 11.4 mt -45.83 -42.96 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -58.29 -52.83 63.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.62 -53.21 60.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.527 HG12 HD13 ' A' ' 31' ' ' LEU . 30.5 mt -57.16 -60.16 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -43.36 -57.19 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.3 t -55.86 -53.13 60.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 89.0 m -43.82 -43.12 6.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.141 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.567 HG12 HD22 ' A' ' 53' ' ' LEU . 54.0 mt -71.21 -47.3 61.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.12 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -45.75 -41.84 11.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.6 mt -57.25 -33.42 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.478 HD13 ' HA ' ' A' ' 54' ' ' ASP . 20.8 mt -73.22 -34.92 66.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -57.91 -43.7 86.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.2 mm? -45.86 -53.5 9.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 142.05 162.49 9.22 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.444 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 32.3 t -167.63 150.1 5.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.911 0.386 . . . . 0.0 110.802 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t 46.08 41.92 9.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -133.49 151.7 20.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 159.86 51.84 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.657 2.238 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' SER . 94.5 p -66.46 103.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' SER . 71.5 m -36.87 143.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.855 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.7 p -158.69 153.42 24.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -135.9 141.32 44.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.45 117.74 0.94 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 6' ' ' SER . 57.9 m -105.34 77.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 5' ' ' SER . 32.4 t 34.36 39.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 -179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.03 -126.34 1.87 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.524 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.794 ' CG2' HG13 ' A' ' 30' ' ' VAL . 7.1 p -76.49 133.28 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 33' ' ' PRO . 9.1 mt -79.09 -51.29 9.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 26.8 tttp -124.84 156.8 37.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 pt20 -158.58 132.89 7.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.432 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 176.67 145.67 5.75 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.493 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -64.3 118.06 8.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.895 0.378 . . . . 0.0 110.892 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.1 mtm -127.98 151.94 48.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 41.9 mtp -95.7 118.01 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -103.16 139.54 38.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 21.9 tttp -71.3 121.02 17.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.19 -121.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -84.28 171.63 12.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.806 0.336 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -38.39 -34.8 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.468 ' N ' ' HD2' ' A' ' 20' ' ' ARG . 12.3 ttm180 -60.34 136.63 58.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.45 98.81 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -150.73 139.12 20.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.539 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 98.6 m95 -132.02 133.1 44.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.0 p -141.07 135.79 31.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.16 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -70.1 149.91 47.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -165.93 141.35 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.866 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.511 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 45.7 t-105 -67.39 135.69 53.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.67 130.95 53.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.851 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.794 HG13 ' CG2' ' A' ' 8' ' ' VAL . 97.8 t -116.45 95.93 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.548 HD12 HG12 ' A' ' 36' ' ' ILE . 37.3 tp -75.33 97.41 3.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.966 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.604 ' CB ' HG22 ' A' ' 35' ' ' ILE . 35.4 mmtt -79.6 163.8 56.92 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.587 0.708 . . . . 0.0 110.872 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.573 ' HA ' HD11 ' A' ' 9' ' ' LEU . 53.9 Cg_endo -69.74 -25.46 28.66 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -134.95 25.58 3.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.604 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt -179.74 178.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.548 HG12 HD12 ' A' ' 31' ' ' LEU . 67.3 mt -149.38 104.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.1 m -108.57 154.3 22.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.825 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 11.5 p90 -130.75 127.91 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.509 ' O ' ' N ' ' A' ' 41' ' ' SER . 24.5 m-85 -110.74 124.19 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.485 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -33.61 -33.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' TYR . 7.5 t -124.88 -175.03 3.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.832 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.41 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 10.0 pt-20 -104.36 28.86 6.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -101.46 -11.17 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.0 mt 60.08 33.56 21.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -109.31 -41.9 4.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.485 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.9 t0 -104.53 107.48 18.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 39' ' ' TYR . 30.4 ttpt -100.6 144.6 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.575 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 48.1 mmtt -101.32 -45.53 5.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.18 -179.03 41.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.483 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -136.51 133.51 36.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.568 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 16.5 mt -97.55 97.74 6.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.8 mt -54.84 108.17 0.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 34.8 mt -76.02 150.12 37.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 55' ' ' GLU . 1.2 p30 -172.5 148.82 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 8.5 pt-20 -33.76 -51.79 0.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' CG ' ' CZ ' ' A' ' 77' ' ' PHE . 3.1 m120 -49.75 -53.66 23.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.619 ' O ' HD13 ' A' ' 102' ' ' ILE . 62.0 m -54.74 139.61 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 2.7 t -153.95 169.64 22.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.436 ' CG1' HG23 ' A' ' 95' ' ' ILE . 7.2 p -120.48 150.02 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -133.55 162.53 31.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 70.2 m -102.99 113.15 26.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 73' ' ' LEU . 19.1 mt -87.62 149.94 47.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.547 0.689 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -168.79 0.29 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.342 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -83.65 128.13 34.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.25 158.71 30.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 50.01 41.04 22.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.87 54.12 33.01 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.419 ' HZ3' ' CB ' ' A' ' 84' ' ' SER . 32.9 mmtp -134.41 169.74 16.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.49 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -131.75 -41.31 1.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 87.3 m -121.6 91.49 3.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 84' ' ' SER . 22.0 mt -113.24 153.27 28.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 83' ' ' ILE . 24.3 p90 -157.72 134.08 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.842 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 82' ' ' GLU . 4.6 tt -125.59 149.51 48.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.4 t -104.88 128.63 58.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.3 mtpt -105.45 122.36 45.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.496 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -115.5 176.63 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.496 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.0 m-85 -30.1 -71.46 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -125.47 -26.01 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -84.48 151.1 24.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.407 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 34.7 p -133.06 154.92 50.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.13 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 32.8 m-85 -145.41 109.2 4.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.843 ' HB2' HD12 ' A' ' 73' ' ' LEU . 21.9 tt0 -94.33 119.79 33.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 72' ' ' PHE . 12.5 mt -121.29 151.03 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.435 ' HA ' HD23 ' A' ' 71' ' ' LEU . 31.6 t -116.28 141.0 48.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.96 160.65 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 30.8 t -87.2 -56.71 3.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.803 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.11 157.23 40.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -41.04 -38.93 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 22.8 tttm -51.25 -65.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.1 mptt -53.42 -57.09 11.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.423 ' HD3' HD12 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -45.82 -63.51 0.95 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.895 179.864 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 93' ' ' GLU . 26.0 tt0 -58.66 -65.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 92' ' ' GLN . 23.3 mm-40 -37.72 -55.02 1.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.511 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -56.03 -57.04 13.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.436 HG23 ' CG1' ' A' ' 59' ' ' VAL . 14.4 mt -50.05 -54.72 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.133 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -54.92 -42.8 72.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.87 -57.52 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.085 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.445 HG12 HD13 ' A' ' 31' ' ' LEU . 60.5 mt -57.83 -55.06 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -47.57 -56.67 6.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 58.1 m -57.47 -47.63 81.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -48.14 -37.69 16.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.147 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.619 HD13 ' O ' ' A' ' 57' ' ' CYS . 33.1 mt -68.11 -43.25 85.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.406 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 5.3 t60 -51.1 -40.26 58.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 44.2 mt -58.27 -34.89 71.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.45 -32.88 68.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 61.8 mttt -58.87 -45.56 89.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -42.53 -51.82 4.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -109.37 119.96 5.66 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.2 t -61.89 152.0 33.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 86.1 p -172.81 176.65 3.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.85 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 63.98 149.66 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 117.63 5.2 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.68 2.253 . . . . 0.0 112.395 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 47.8 t -54.34 -57.21 12.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -136.77 129.55 30.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.841 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -128.27 138.46 52.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.39 . . . . 0.0 110.83 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.9 m 45.63 41.98 7.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.87 91.38 0.33 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.478 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -80.79 114.53 19.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -165.96 124.37 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.08 -133.71 11.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 30' ' ' VAL . 90.3 t -43.44 108.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -87.36 -54.46 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.517 ' HD3' ' CE2' ' A' ' 94' ' ' TRP . 10.9 tttp -124.11 153.17 41.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -158.46 127.84 5.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -174.63 162.86 33.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 4.5 m-85 -81.89 112.4 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.895 0.379 . . . . 0.0 110.91 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.488 ' HB3' ' CG2' ' A' ' 83' ' ' ILE . 71.0 mtm -121.63 157.2 31.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 6.7 mtp -97.18 122.13 39.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -111.02 128.32 55.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 37.1 tttm -66.97 118.11 9.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.939 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -41.41 143.36 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.45 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.5 t-160 -51.22 -57.49 8.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.759 0.314 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.7 OUTLIER -121.35 40.45 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 44.6 mtt85 -146.47 142.6 28.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -92.0 42.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -124.63 140.07 53.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 95.4 m95 -99.3 139.77 34.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.7 p -141.99 140.35 32.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 1.5 tp10 -73.12 137.09 44.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 mmm-85 -148.27 141.45 25.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -77.1 125.08 28.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -108.94 148.02 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 8' ' ' VAL . 98.6 t -133.08 87.33 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.4 tp -64.07 98.19 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.633 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.2 mmtp -81.18 163.15 56.47 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 0.0 110.854 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.547 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.1 Cg_endo -69.75 -25.67 28.39 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.667 2.244 . . . . 0.0 112.399 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -135.01 26.35 3.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.638 HD11 HD23 ' A' ' 52' ' ' LEU . 2.4 tt -179.91 179.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG13 HD11 ' A' ' 53' ' ' LEU . 61.5 mt -148.83 105.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.6 t -108.86 170.04 8.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.546 ' CD1' ' N ' ' A' ' 38' ' ' TYR . 0.4 OUTLIER -150.07 117.52 6.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 44' ' ' LEU . 9.3 m-85 -91.88 147.53 22.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 40' ' ' VAL . 2.3 p -56.79 -16.56 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.0 p -150.16 174.84 12.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -87.54 28.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.16 -13.33 17.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 39' ' ' TYR . 20.7 mt 52.71 50.26 18.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.9 mtpt -129.2 -38.65 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.886 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' O ' HG12 ' A' ' 40' ' ' VAL . 3.8 m-20 -106.52 85.03 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.83 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.545 ' HE3' ' CZ ' ' A' ' 39' ' ' TYR . 7.9 ttmt -63.86 142.92 58.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 -41.59 6.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' O ' ' CG ' ' A' ' 50' ' ' ASP . . . -169.56 -152.66 8.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.436 ' CG ' ' O ' ' A' ' 49' ' ' GLY . 0.8 OUTLIER -163.07 137.32 6.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.776 0.322 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.675 HD11 ' CD2' ' A' ' 81' ' ' PHE . 89.5 mt -114.67 89.9 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.638 HD23 HD11 ' A' ' 35' ' ' ILE . 26.4 mt -51.67 105.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.47 HD11 HG13 ' A' ' 36' ' ' ILE . 13.7 mt -71.62 142.65 49.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HA ' HD13 ' A' ' 105' ' ' LEU . 10.8 t70 -167.24 153.09 7.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 5.2 pt-20 -37.68 -50.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.505 ' ND2' ' H ' ' A' ' 57' ' ' CYS . 0.3 OUTLIER -49.93 -47.29 52.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.505 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 93.2 m -64.76 140.19 58.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.41 ' O ' HG13 ' A' ' 74' ' ' VAL . 23.0 m -156.29 165.26 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.728 HG11 HG23 ' A' ' 95' ' ' ILE . 6.7 p -105.58 149.33 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -137.5 125.32 22.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.1 p -74.43 129.62 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.847 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' ' 73' ' ' LEU . 62.8 mt -119.62 142.41 32.79 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.594 0.712 . . . . 0.0 110.937 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -163.88 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.707 2.271 . . . . 0.0 112.306 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.44 117.09 27.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.864 ' HD3' HD13 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -121.36 -27.48 4.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 68' ' ' LYS . 10.8 t0 -128.51 76.61 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 66' ' ' ASP . . . 35.32 30.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.717 ' HB2' HD11 ' A' ' 71' ' ' LEU . 23.2 mmtm -116.0 169.89 8.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.898 0.38 . . . . 0.0 110.882 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -137.72 143.07 41.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 48.8 m 61.79 50.15 4.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.864 HD13 ' HD3' ' A' ' 65' ' ' LYS . 6.8 mt -82.74 150.31 26.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 46.8 p90 -151.09 135.21 16.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.648 ' HB3' HD11 ' A' ' 62' ' ' LEU . 5.1 tt -122.22 142.8 50.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.936 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.41 HG13 ' O ' ' A' ' 58' ' ' CYS . 92.3 t -104.7 135.27 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -110.72 130.72 55.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.464 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -124.51 176.42 6.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 76' ' ' CYS . 11.6 m-85 -31.4 -72.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -123.71 -28.61 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -81.95 151.55 27.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 23.0 p -134.41 147.14 50.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.675 ' CD2' HD11 ' A' ' 51' ' ' ILE . 40.8 m-85 -137.67 130.38 29.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -117.73 125.41 50.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.524 ' N ' ' CD ' ' A' ' 82' ' ' GLU . 7.3 mt -128.94 156.05 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.3 p -115.71 154.77 28.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.417 ' CB ' ' HB2' ' A' ' 91' ' ' LYS . . . -120.02 152.24 37.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.1 t -82.24 -54.62 5.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -123.97 175.03 7.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 29.9 mtmt -61.82 -30.93 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 ttmm -61.52 -64.62 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -47.4 -60.14 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' C ' ' CD ' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -43.69 -65.7 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.836 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 93' ' ' GLU . 29.5 tt0 -55.39 -65.27 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 92' ' ' GLN . 36.7 mt-10 -37.55 -44.65 0.69 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 10' ' ' LYS . 36.1 m95 -66.93 -58.98 3.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.728 HG23 HG11 ' A' ' 59' ' ' VAL . 4.8 mt -51.88 -56.52 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -49.99 -41.67 47.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.65 -62.26 1.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.087 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 36' ' ' ILE . 18.1 mt -50.77 -52.75 15.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -49.28 -52.64 26.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 57.3 m -60.2 -48.42 81.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 60.1 m -49.07 -42.19 37.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.169 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 57' ' ' CYS . 38.7 mt -66.06 -47.46 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.109 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -42.91 -44.19 4.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.839 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.9 mt -54.81 -36.6 65.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 54' ' ' ASP . 28.7 mt -75.42 -32.74 60.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 69.2 mttt -57.0 -42.49 80.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -42.53 -51.46 5.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 67.93 -161.06 49.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.466 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' SER . 18.7 m -130.22 171.41 12.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.892 0.377 . . . . 0.0 110.884 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' SER . 73.3 p -37.46 145.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 120.89 -153.41 16.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.535 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 164.77 33.25 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.384 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 79.3 p -146.48 176.52 9.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 54.6 p -78.88 142.99 36.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.1 p -108.23 42.33 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -81.2 95.04 6.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.887 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.44 149.56 18.76 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.5 m -52.89 -46.21 67.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 110.857 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 5' ' ' SER . 10.1 p -34.54 147.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -53.14 -61.61 6.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.589 ' HB ' HG13 ' A' ' 30' ' ' VAL . 1.3 p -33.61 128.95 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.859 0.362 . . . . 0.0 111.161 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.498 HD11 ' HA ' ' A' ' 33' ' ' PRO . 7.4 mt -89.7 -51.35 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.3 tttp -122.35 153.68 38.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -158.85 132.64 7.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -175.38 170.88 44.01 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -85.7 106.46 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.954 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 62.2 mtm -114.49 151.47 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 55.2 mtp -98.88 112.38 24.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -96.91 142.91 28.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 25.7 tttp -80.32 108.61 14.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -138.77 -55.93 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.479 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -48.04 95.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.815 0.341 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ARG . 4.2 tpm_? 40.57 42.92 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' ARG . 6.6 tpp180 34.36 41.25 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -133.17 -58.54 0.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -88.32 160.21 17.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.507 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 89.3 m95 -116.79 145.79 43.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 m -133.44 138.92 46.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -74.35 131.27 40.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.8 mmt85 -145.78 144.84 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.423 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 33.8 t-105 -74.51 138.95 43.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 38' ' ' TYR . 21.7 m-85 -127.5 136.85 52.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.589 HG13 ' HB ' ' A' ' 8' ' ' VAL . 44.2 t -120.37 94.4 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.5 tp -71.1 96.35 1.33 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.642 ' CB ' HG22 ' A' ' 35' ' ' ILE . 18.9 mmtp -80.25 163.06 59.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.571 0.701 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.532 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.3 Cg_endo -69.76 -26.45 27.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.256 . . . . 0.0 112.334 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -134.99 27.44 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.642 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.8 tt 179.75 179.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.085 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.63 HG13 HD11 ' A' ' 53' ' ' LEU . 30.0 mt -148.71 105.04 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 p -112.41 133.9 54.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.593 ' CE2' ' HB2' ' A' ' 48' ' ' LYS . 6.7 p90 -119.18 116.76 26.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -91.17 140.69 29.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 p -47.6 -28.46 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.2 m -137.57 171.05 15.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 9.5 pt-20 -87.3 23.83 1.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -102.0 -21.6 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.5 mt 70.52 42.37 0.88 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -108.59 -47.53 3.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -116.69 98.26 6.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -73.92 138.44 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.593 ' HB2' ' CE2' ' A' ' 38' ' ' TYR . 1.0 OUTLIER -79.74 -40.12 29.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 176.63 -169.6 42.11 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.548 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.05 143.46 48.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.749 0.309 . . . . 0.0 110.849 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.574 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 86.1 mt -121.64 96.37 4.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.6 mt -59.87 109.79 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.63 HD11 HG13 ' A' ' 36' ' ' ILE . 33.2 mt -79.7 142.41 35.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.7 t70 -170.81 152.59 3.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' CB ' ' HG2' ' A' ' 106' ' ' LYS . 16.9 pt-20 -32.68 -43.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 2.2 m-80 -55.92 -58.54 7.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.421 ' O ' HD13 ' A' ' 102' ' ' ILE . 87.3 m -58.95 143.44 48.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.545 ' O ' HG13 ' A' ' 74' ' ' VAL . 28.7 p -157.27 158.36 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.479 HG23 HG22 ' A' ' 74' ' ' VAL . 9.2 p -112.5 140.22 33.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -132.91 166.19 22.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 76.7 p -96.87 140.7 31.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.949 HD11 ' HB2' ' A' ' 73' ' ' LEU . 28.7 mt -110.91 153.5 43.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.564 0.697 . . . . 0.0 110.931 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -173.03 0.64 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 0.0 112.351 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.14 119.71 27.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 12.0 ptpt -147.35 166.13 28.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.9 t70 41.43 41.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.856 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 63.02 51.08 58.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.592 ' HG3' HD11 ' A' ' 71' ' ' LEU . 37.9 mmtm -117.84 174.76 6.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.904 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -133.86 -41.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 99.5 m -132.71 97.67 4.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.592 HD11 ' HG3' ' A' ' 68' ' ' LYS . 15.6 mt -113.61 158.24 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.625 ' HB3' HD11 ' A' ' 95' ' ' ILE . 32.2 p90 -159.09 129.98 6.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.949 ' HB2' HD11 ' A' ' 62' ' ' LEU . 7.8 tt -117.89 146.72 43.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 58' ' ' CYS . 86.3 t -112.26 128.44 68.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.104 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.57 ' HD2' HD22 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -103.44 136.11 43.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.7 m -123.4 176.11 6.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.511 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 14.2 m-85 -33.28 -72.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -120.33 -31.95 4.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.18 166.18 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 33.5 p -142.06 161.2 38.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 80.2 m-85 -149.36 126.56 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -113.54 120.87 42.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.915 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.568 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 23.3 mt -123.14 154.9 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.459 ' N ' HG22 ' A' ' 83' ' ' ILE . 44.1 t -124.12 135.24 53.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -101.25 154.6 18.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.5 t -76.75 -65.03 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -114.74 159.77 20.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 89' ' ' LYS . 15.8 ptpt -48.74 -36.76 17.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 88' ' ' LYS . 33.1 tttt -54.07 -64.3 0.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.911 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mtmm -52.77 -49.72 64.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 6.9 tmtt? -48.93 -57.21 6.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -60.33 -65.5 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -40.95 -47.9 3.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -62.96 -62.35 1.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.625 HD11 ' HB3' ' A' ' 72' ' ' PHE . 15.2 mt -47.82 -57.14 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.158 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -55.37 -50.94 68.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.11 -48.6 64.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 15.6 mt -65.11 -48.94 81.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -48.34 -57.9 5.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.5 t -56.51 -44.97 81.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.1 m -47.57 -40.84 20.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.421 HD13 ' O ' ' A' ' 57' ' ' CYS . 19.5 mt -74.52 -45.56 45.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 4.2 t60 -44.78 -49.18 10.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 42.2 mt -49.14 -36.03 18.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 42.3 mt -74.92 -39.59 61.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.483 ' HG2' ' CB ' ' A' ' 55' ' ' GLU . 85.1 mttt -50.69 -41.3 55.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -47.2 -49.21 23.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.56 144.11 27.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 27.9 p -116.86 153.51 32.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.9 t -124.32 142.17 51.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 179.5 135.02 2.3 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.85 15.65 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.731 2.287 . . . . 0.0 112.306 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -121.91 163.97 18.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 m -109.0 174.26 5.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.489 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -67.06 117.8 9.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.388 . . . . 0.0 110.829 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -145.77 130.72 18.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.95 84.18 0.36 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.472 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.5 t -84.86 137.27 33.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.871 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.2 t -79.03 145.45 33.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 43.56 -108.47 0.17 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.707 ' CG2' HG13 ' A' ' 30' ' ' VAL . 5.4 p -60.49 123.74 13.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.2 mt -79.07 -45.11 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.959 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 28.8 tttm -129.17 155.67 45.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 28' ' ' TRP . 4.2 pt20 -158.52 134.45 9.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.67 147.29 6.71 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.451 ' HB3' ' CG ' ' A' ' 26' ' ' GLU . 15.2 m-85 -64.76 112.12 3.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.894 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.552 ' HB2' ' CD1' ' A' ' 29' ' ' PHE . 24.6 mtm -115.89 163.03 16.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 40.4 mtp -111.52 111.82 23.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -101.72 137.95 39.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' HD2' ' CZ2' ' A' ' 24' ' ' TRP . 33.3 tttm -79.78 102.53 9.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.72 -101.16 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -134.46 -44.5 0.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.827 0.346 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.0 mtt-85 -39.36 157.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 22' ' ' LYS . 18.0 mtp-105 -72.21 120.16 17.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 21' ' ' ARG . 38.9 mtmt 34.48 46.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -123.7 80.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.447 ' CZ2' ' HD2' ' A' ' 17' ' ' LYS . 70.0 m95 -68.52 166.74 16.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 t -147.98 136.86 21.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' CG ' ' HB3' ' A' ' 13' ' ' TYR . 12.1 tt0 -77.69 142.02 39.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.0 mtm-85 -157.45 137.19 12.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 11' ' ' GLN . 53.9 t-105 -67.44 114.64 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.552 ' CD1' ' HB2' ' A' ' 14' ' ' MET . 15.6 m-85 -100.17 123.32 44.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.852 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG13 ' CG2' ' A' ' 8' ' ' VAL . 95.1 t -109.43 96.26 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD12 HG12 ' A' ' 36' ' ' ILE . 46.5 tp -72.21 112.67 8.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.62 ' CB ' HG22 ' A' ' 35' ' ' ILE . 25.3 mmtt -96.59 163.68 19.88 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.544 0.688 . . . . 0.0 110.873 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.539 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 54.0 Cg_endo -69.76 -26.19 27.83 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.688 2.259 . . . . 0.0 112.358 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -135.01 26.95 3.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.62 HG22 ' CB ' ' A' ' 32' ' ' LYS . 3.1 tt 179.83 178.01 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.576 HG12 HD12 ' A' ' 31' ' ' LEU . 87.6 mt -149.29 105.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.139 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.8 p -104.31 169.32 8.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 5.1 p90 -149.11 117.98 6.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 41' ' ' SER . 56.0 m-85 -103.67 125.01 49.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -34.5 -32.69 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.121 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 39' ' ' TYR . 1.6 t -126.09 176.18 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 20.4 pt-20 -97.33 31.51 2.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.04 -8.83 17.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 16.1 mt 57.82 37.01 26.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.0 mmtm -110.31 -46.0 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' HB3' ' CG2' ' A' ' 40' ' ' VAL . 6.0 t0 -103.34 113.36 26.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -101.19 147.12 26.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -106.56 -40.94 5.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -170.99 -172.94 37.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.552 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -146.8 131.3 17.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.806 0.336 . . . . 0.0 110.857 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.565 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 33.3 mt -99.4 94.24 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.494 HD23 ' CD1' ' A' ' 35' ' ' ILE . 19.7 mt -55.86 108.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 35' ' ' ILE . 19.4 mt -72.23 128.68 36.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.464 ' HA ' HD13 ' A' ' 105' ' ' LEU . 0.9 OUTLIER -139.15 141.34 38.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 54' ' ' ASP . 16.6 pt-20 -33.69 -40.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 4.2 m-80 -62.77 -55.66 24.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.572 ' O ' HD13 ' A' ' 102' ' ' ILE . 52.2 m -42.99 146.69 0.38 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.458 ' O ' HG13 ' A' ' 74' ' ' VAL . 4.2 t -157.53 165.05 36.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.617 HG13 HG23 ' A' ' 95' ' ' ILE . 7.3 p -122.42 144.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -136.3 164.69 27.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.5 p -103.72 133.0 49.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD11 ' CB ' ' A' ' 73' ' ' LEU . 63.1 mt -113.85 146.1 34.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.518 ' O ' HD12 ' A' ' 71' ' ' LEU . 53.6 Cg_endo -69.72 -169.01 0.3 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.366 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -80.36 125.66 30.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 66' ' ' ASP . 9.2 ptpp? -118.58 -39.53 2.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 t70 -134.25 78.59 1.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 47.97 44.99 25.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.526 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' HG3' HD21 ' A' ' 71' ' ' LEU . 55.8 mmtt -109.54 176.89 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -127.23 -55.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.418 ' HB3' ' CB ' ' A' ' 91' ' ' LYS . 53.2 m -124.76 92.44 3.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 63' ' ' PRO . 15.6 mt -100.6 156.99 17.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.484 ' CZ ' ' HB ' ' A' ' 83' ' ' ILE . 32.3 p90 -158.34 132.13 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.479 ' CB ' HD11 ' A' ' 62' ' ' LEU . 7.0 tt -120.39 153.86 35.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 58' ' ' CYS . 95.2 t -114.37 128.41 71.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -108.62 119.92 40.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.471 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -112.32 176.43 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 56' ' ' ASN . 12.3 m-85 -31.45 -68.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -125.28 -32.7 2.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -82.33 160.05 22.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.431 ' C ' ' CD1' ' A' ' 81' ' ' PHE . 45.9 p -143.7 159.01 43.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.154 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 23.7 m-85 -143.91 129.71 19.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -111.72 122.74 48.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' CZ ' ' A' ' 72' ' ' PHE . 14.3 mt -130.13 152.61 37.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' HG22 ' A' ' 83' ' ' ILE . 34.0 t -124.12 135.82 53.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.95 154.69 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.069 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.6 t -89.3 -48.27 7.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.39 147.7 28.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -55.39 -43.99 75.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -56.77 -38.73 72.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.433 ' CE ' ' HE1' ' A' ' 94' ' ' TRP . 14.2 mtpt -62.81 -58.47 7.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.418 ' CB ' ' HB3' ' A' ' 70' ' ' CYS . 8.4 tmtt? -46.61 -59.69 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -55.63 -58.94 5.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -45.08 -59.73 2.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 43.5 m95 -46.48 -62.69 1.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.617 HG23 HG13 ' A' ' 59' ' ' VAL . 16.6 mt -49.29 -49.55 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.57 -42.96 79.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.18 -56.46 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 28.7 mt -55.21 -50.77 61.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -50.25 -50.36 50.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 24.2 m -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.48 ' CG2' HD13 ' A' ' 53' ' ' LEU . 61.4 m -50.62 -48.51 57.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.137 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.572 HD13 ' O ' ' A' ' 57' ' ' CYS . 37.4 mt -61.49 -47.22 94.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 103' ' ' HIS . 3.4 t60 -43.17 -40.66 3.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 18.5 mt -57.26 -37.87 72.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' ' 54' ' ' ASP . 14.7 mt -67.48 -34.24 76.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -57.07 -45.52 83.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' GLY . 4.1 mm? -42.73 -44.01 4.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -35.62 -84.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.8 t -109.35 117.67 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.873 0.368 . . . . 0.0 110.899 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 m -100.02 -51.16 3.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.893 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 136.3 -127.36 4.13 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -177.99 2.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.314 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 m -78.92 131.35 36.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.6 t -93.43 160.21 14.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.853 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -77.15 175.28 9.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -151.56 109.14 3.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.38 -177.76 41.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 p -118.64 87.39 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.882 0.373 . . . . 0.0 110.853 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -67.86 -63.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 8' ' ' VAL . . . -176.01 -175.85 43.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.571 ' CG2' HG13 ' A' ' 30' ' ' VAL . 1.7 p -33.92 129.53 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 111.153 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.7 mt -92.09 -47.99 6.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.447 ' HD3' ' CD2' ' A' ' 94' ' ' TRP . 19.8 tttp -123.51 155.52 37.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.907 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -158.6 137.26 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -179.91 165.53 34.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.448 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.485 ' CD1' ' HG2' ' A' ' 26' ' ' GLU . 4.9 m-85 -82.33 102.2 11.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.834 0.349 . . . . 0.0 110.965 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 46.7 mtm -110.23 154.43 23.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.478 ' CE ' ' HB3' ' A' ' 24' ' ' TRP . 74.7 mtp -102.73 115.2 30.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.859 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 ttmt -99.52 127.12 45.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.52 ' HB2' ' CH2' ' A' ' 24' ' ' TRP . 20.0 tttm -70.44 120.85 16.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.18 167.91 52.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -55.2 -49.54 71.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' C ' ' A' ' 21' ' ' ARG . 12.2 tpp180 -40.43 156.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' ARG . 13.1 ttt-85 -35.43 -49.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.44 134.64 13.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -174.96 109.43 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 17' ' ' LYS . 98.8 m95 -109.88 125.46 52.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.4 t -134.09 136.83 44.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.211 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.485 ' HG2' ' CD1' ' A' ' 13' ' ' TYR . 32.3 tt0 -72.09 100.48 2.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.3 tpp85 -116.67 132.08 56.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.448 ' CG ' ' HA ' ' A' ' 42' ' ' GLU . 43.5 t-105 -63.44 130.49 44.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -118.31 129.8 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.571 HG13 ' CG2' ' A' ' 8' ' ' VAL . 84.7 t -114.73 95.02 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.2 tp -71.47 100.63 2.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' CB ' HG22 ' A' ' 35' ' ' ILE . 19.5 mmtp -83.72 162.51 52.64 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.578 0.704 . . . . 0.0 110.884 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.541 ' HD2' ' CD ' ' A' ' 32' ' ' LYS . 53.5 Cg_endo -69.79 -24.81 29.13 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -134.25 25.12 3.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.624 HG22 ' CB ' ' A' ' 32' ' ' LYS . 2.9 tt -179.78 178.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.478 HG13 HD11 ' A' ' 53' ' ' LEU . 44.1 mt -148.22 105.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.0 t -104.51 170.44 7.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -151.28 116.46 5.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.945 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 47' ' ' LYS . 53.5 m-85 -100.8 151.11 22.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 86.9 t -42.31 -48.77 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.156 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 77.8 p -131.86 -174.82 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.448 ' HA ' ' CG ' ' A' ' 28' ' ' TRP . 15.5 pt-20 -84.13 33.69 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -96.19 -34.4 11.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.6 mt 69.85 41.79 1.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -118.79 -40.48 2.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -110.72 105.73 14.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 39' ' ' TYR . 16.0 ttmt -81.7 152.53 27.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.8 mmtm -113.75 -34.79 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -177.29 165.88 36.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.04 124.32 34.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.781 0.324 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CZ ' ' A' ' 81' ' ' PHE . 43.1 mt -97.84 97.12 5.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.51 109.9 0.88 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.478 HD11 HG13 ' A' ' 36' ' ' ILE . 25.9 mt -77.1 134.97 38.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 55' ' ' GLU . 31.4 p-10 -156.11 147.3 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 54' ' ' ASP . 7.1 pt-20 -34.5 -39.91 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -57.09 -58.97 5.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.407 ' O ' HD13 ' A' ' 102' ' ' ILE . 59.0 m -54.01 153.44 4.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' CYS . . . . . 0.403 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.6 t -162.41 163.23 27.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.53 137.93 43.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -132.25 145.82 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.7 m -83.09 136.56 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.42 HD11 ' HB2' ' A' ' 73' ' ' LEU . 69.7 mt -102.1 153.99 37.66 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.618 0.723 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -169.8 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.654 2.236 . . . . 0.0 112.322 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -90.07 110.06 21.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.478 ' HG2' ' CD1' ' A' ' 71' ' ' LEU . 9.5 ptpt -135.77 174.23 10.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 28.5 t70 36.66 37.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.84 56.34 23.28 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.497 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.69 ' HG3' HD11 ' A' ' 71' ' ' LEU . 38.2 mmtm -118.92 -178.09 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.883 0.373 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -134.29 -44.34 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 85.7 m -132.45 96.41 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.69 HD11 ' HG3' ' A' ' 68' ' ' LYS . 33.1 mt -112.0 147.98 34.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 83' ' ' ILE . 7.7 p90 -148.33 131.21 16.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' ' 82' ' ' GLU . 5.2 tt -124.49 149.95 46.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' ' 58' ' ' CYS . 89.3 t -105.0 128.48 58.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -103.43 115.78 31.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.518 ' O ' ' C ' ' A' ' 77' ' ' PHE . 1.8 m -111.9 176.92 4.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 76' ' ' CYS . 7.4 m-85 -28.49 -73.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -125.41 -27.71 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 76' ' ' CYS . 34.8 mttt -83.5 149.47 26.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.7 p -128.14 157.27 41.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.139 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CZ ' HG12 ' A' ' 51' ' ' ILE . 64.7 m-85 -142.0 109.65 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.499 ' HB2' HD12 ' A' ' 73' ' ' LEU . 37.2 tt0 -96.63 116.82 29.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.551 ' HB ' ' CE1' ' A' ' 72' ' ' PHE . 11.7 mt -124.22 152.63 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.157 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.2 t -124.6 132.5 53.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB3' ' HB2' ' A' ' 91' ' ' LYS . . . -94.0 177.85 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 28.2 t -92.06 -52.6 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -138.13 167.64 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -45.2 -42.06 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -51.62 -59.96 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -59.79 4.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 85' ' ' ALA . 6.6 tmtt? -45.36 -60.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 93' ' ' GLU . 2.6 tp60 -55.82 -69.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 92' ' ' GLN . 12.1 mm-40 -37.6 -56.28 1.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.447 ' CD2' ' HD3' ' A' ' 10' ' ' LYS . 35.4 m95 -52.0 -64.73 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.453 HD11 ' CB ' ' A' ' 72' ' ' PHE . 18.4 mt -45.78 -53.17 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -54.9 -41.25 70.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.63 57.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.85 -55.32 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -47.88 -55.31 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 46.0 t -58.56 -42.67 88.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.454 ' CG2' HD13 ' A' ' 53' ' ' LEU . 34.4 m -51.94 -40.03 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.407 HD13 ' O ' ' A' ' 57' ' ' CYS . 56.5 mt -73.3 -40.47 57.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.155 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -55.08 -39.8 69.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 34.0 mt -59.01 -31.65 69.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.2 mt -72.23 -32.94 67.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.7 mttm -60.67 -45.54 93.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -42.83 -50.18 5.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -37.5 -77.45 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.6 m -107.28 139.89 41.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.37 . . . . 0.0 110.897 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 50.8 m -99.9 166.03 11.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.86 145.73 4.48 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.49 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 142.62 48.18 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.67 2.247 . . . . 0.0 112.335 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 77.0 p -90.56 141.28 28.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.5 p -81.63 -48.25 11.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.836 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 stop_ save_